4KF9
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![BU of 4kf9 by Molmil](/molmil-images/mine/4kf9) | Crystal structure of a glutathione transferase family member from ralstonia solanacearum, target efi-501780, with bound gsh coordinated to a zinc ion, ordered active site | Descriptor: | ACETATE ION, GLUTATHIONE, Glutathione s-transferase protein, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-04-26 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a glutathione transferase family member from ralstonia solanacearum, target efi-501780, with bound gsh coordinated to a zinc ion, ordered active site To be Published
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4KH7
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![BU of 4kh7 by Molmil](/molmil-images/mine/4kh7) | Crystal structure of a glutathione transferase family member from salmonella enterica ty2, target efi-507262, with bound glutathione | Descriptor: | GLUTATHIONE, Glutathione s-transferase family protein | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-04-30 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of a glutathione transferase family member from Salmonella enterica ty2, target efi-507262, with bound glutathione To be published
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1TLL
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![BU of 1tll by Molmil](/molmil-images/mine/1tll) | CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION. | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Garcin, E.D, Bruns, C.M, Lloyd, S.J, Hosfield, D.J, Tiso, M, Gachhui, R, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2004-06-09 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for isozyme-specific regulation of electron transfer in nitric-oxide synthase J.Biol.Chem., 279, 2004
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1SRR
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![BU of 1srr by Molmil](/molmil-images/mine/1srr) | CRYSTAL STRUCTURE OF A PHOSPHATASE RESISTANT MUTANT OF SPORULATION RESPONSE REGULATOR SPO0F FROM BACILLUS SUBTILIS | Descriptor: | CALCIUM ION, SPORULATION RESPONSE REGULATORY PROTEIN | Authors: | Madhusudan, Whiteley, J.M, Hoch, J.A, Zapf, J, Xuong, N.H, Varughese, K.I. | Deposit date: | 1996-04-10 | Release date: | 1997-04-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a phosphatase-resistant mutant of sporulation response regulator Spo0F from Bacillus subtilis. Structure, 4, 1996
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1SZK
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![BU of 1szk by Molmil](/molmil-images/mine/1szk) | The structure of gamma-aminobutyrate aminotransferase mutant: E211S | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | Authors: | Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-04-05 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase. Biochemistry, 44, 2005
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1T0K
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![BU of 1t0k by Molmil](/molmil-images/mine/1t0k) | Joint X-ray and NMR Refinement of Yeast L30e-mRNA complex | Descriptor: | 5'-R(*G*GP*AP*CP*GP*CP*AP*GP*AP*GP*AP*UP*GP*GP*UP*C)-3', 5'-R(*GP*AP*CP*CP*GP*GP*AP*GP*UP*GP*UP*CP*C)-3', 60S ribosomal protein L30, ... | Authors: | Chao, J.A, Williamson, J.R. | Deposit date: | 2004-04-09 | Release date: | 2004-07-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Joint X-Ray and NMR Refinement of the Yeast L30e-mRNA Complex Structure, 12, 2004
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4HCD
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![BU of 4hcd by Molmil](/molmil-images/mine/4hcd) | Crystal structure of D-glucarate dehydratase from agrobacterium tumefaciens complexed with magnesium | Descriptor: | CHLORIDE ION, Isomerase/lactonizing enzyme, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Millikin, C, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-09-29 | Release date: | 2013-10-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of D-glucarate dehydratase from agrobacterium tumefaciens complexed with magnesium To be Published
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1T6I
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![BU of 1t6i by Molmil](/molmil-images/mine/1t6i) | Nickel Superoxide Dismutase (NiSOD) Apo Structure | Descriptor: | Superoxide dismutase [Ni] | Authors: | Barondeau, D.P, Kassmann, C.J, Bruns, C.K, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2004-05-06 | Release date: | 2004-07-13 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Nickel superoxide dismutase structure and mechanism. Biochemistry, 43, 2004
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1T9C
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![BU of 1t9c by Molmil](/molmil-images/mine/1t9c) | Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Sulfometuron methyl | Descriptor: | Acetolactate synthase, mitochondrial, ETHYL DIHYDROGEN DIPHOSPHATE, ... | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2004-05-16 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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1TA6
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![BU of 1ta6 by Molmil](/molmil-images/mine/1ta6) | Crystal structure of thrombin in complex with compound 14b | Descriptor: | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, Hirudin, thrombin | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | Deposit date: | 2004-05-19 | Release date: | 2004-06-08 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position J.Med.Chem., 41, 1998
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4H83
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![BU of 4h83 by Molmil](/molmil-images/mine/4h83) | Crystal structure of Mandelate racemase/muconate lactonizing enzyme (EFI target:502127) | Descriptor: | BICARBONATE ION, GLYCEROL, Mandelate racemase/muconate lactonizing enzyme, ... | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-09-21 | Release date: | 2012-10-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | Crystal structure of Mandelate racemase/muconate lactonizing enzyme To be Published
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1T9B
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![BU of 1t9b by Molmil](/molmil-images/mine/1t9b) | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron | Descriptor: | 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE, ... | Authors: | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | Deposit date: | 2004-05-16 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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1TA2
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![BU of 1ta2 by Molmil](/molmil-images/mine/1ta2) | Crystal structure of thrombin in complex with compound 1 | Descriptor: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE, Hirudin, thrombin | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | Deposit date: | 2004-05-19 | Release date: | 2004-06-08 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position J.Med.Chem., 41, 1998
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4HCL
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![BU of 4hcl by Molmil](/molmil-images/mine/4hcl) | CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-Lyxarohydroxamate | Descriptor: | (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, Isomerase/lactonizing enzyme, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-09-30 | Release date: | 2012-10-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-Lyxarohydroxamate To be Published
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1V1K
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![BU of 1v1k by Molmil](/molmil-images/mine/1v1k) | CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR | Descriptor: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2004-04-16 | Release date: | 2004-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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1VBY
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![BU of 1vby by Molmil](/molmil-images/mine/1vby) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, and Mn2+ bound | Descriptor: | Hepatitis Delta virus ribozyme, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-03 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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4HFZ
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![BU of 4hfz by Molmil](/molmil-images/mine/4hfz) | Crystal Structure of an MDM2/P53 Peptide Complex | Descriptor: | Cellular tumor antigen p53, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Anil, B, Riedinger, C, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-05 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant. Acta Crystallogr.,Sect.D, 69, 2013
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4IL2
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![BU of 4il2 by Molmil](/molmil-images/mine/4il2) | Crystal structure of D-mannonate dehydratase (rspA) from E. coli CFT073 (EFI TARGET EFI-501585) | Descriptor: | MAGNESIUM ION, Starvation sensing protein rspA | Authors: | Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K. | Deposit date: | 2012-12-28 | Release date: | 2013-02-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mannonate degradation pathway in E. coli CFT073 To be Published
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1UZY
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![BU of 1uzy by Molmil](/molmil-images/mine/1uzy) | Erythrina crystagalli lectin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Lectin, ... | Authors: | Turton, K, Natesh, R, Thiyagarajan, N, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2004-03-19 | Release date: | 2004-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose. Glycobiology, 14, 2004
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4INF
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![BU of 4inf by Molmil](/molmil-images/mine/4inf) | Crystal structure of amidohydrolase saro_0799 (target efi-505250) from novosphingobium aromaticivorans dsm 12444 with bound calcium | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-01-04 | Release date: | 2013-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structure of amidohydrolase sarp_0799 (target efi-505250) from novosphingobium aromaticivorans To be Published
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4IKH
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![BU of 4ikh by Molmil](/molmil-images/mine/4ikh) | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound | Descriptor: | CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase | Authors: | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-26 | Release date: | 2013-01-16 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound To be Published
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4IDG
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![BU of 4idg by Molmil](/molmil-images/mine/4idg) | Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Vetting, M.W, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-12 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2 To be Published
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1T1F
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![BU of 1t1f by Molmil](/molmil-images/mine/1t1f) | Crystal Structure of Native Antithrombin in its Monomeric Form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, GLYCEROL, ... | Authors: | Johnson, D.J.D, Huntington, J.A. | Deposit date: | 2004-04-16 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation J.Biol.Chem., 281, 2006
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1TEX
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![BU of 1tex by Molmil](/molmil-images/mine/1tex) | Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose | Descriptor: | Stf0 Sulfotransferase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | Authors: | Mougous, J.D, Petzold, C.J, Senaratne, R.H, Lee, D.H, Akey, D.L, Lin, F.L, Munchel, S.E, Pratt, M.R, Riley, L.W, Leary, J.A, Berger, J.M, Bertozzi, C.R. | Deposit date: | 2004-05-25 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis. Nat.Struct.Mol.Biol., 11, 2004
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1TG9
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![BU of 1tg9 by Molmil](/molmil-images/mine/1tg9) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-28 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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