1TEL
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![BU of 1tel by Molmil](/molmil-images/mine/1tel) | Crystal structure of a RubisCO-like protein from Chlorobium tepidum | Descriptor: | ribulose bisphosphate carboxylase, large subunit | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-05-25 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a RubisCO-like protein from Chlorobium tepidum To be Published
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4JXN
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![BU of 4jxn by Molmil](/molmil-images/mine/4jxn) | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE ISP_B (TARGET EFI-509198) FROM Roseobacter denitrificans | Descriptor: | CHLORIDE ION, Octaprenyl-diphosphate synthase, UNKNOWN LIGAND | 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, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-28 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Isoprenoid Synthase Isp_B from Roseobacter Denitrificans To be Published
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1TG3
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![BU of 1tg3 by Molmil](/molmil-images/mine/1tg3) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, SULFATE ION, 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 (1.8 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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4JQY
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![BU of 4jqy by Molmil](/molmil-images/mine/4jqy) | Human procaspase-3, crystal form 1 | Descriptor: | Procaspase-3 | Authors: | Thomsen, N.D, Wells, J.A. | Deposit date: | 2013-03-20 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JF2
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![BU of 4jf2 by Molmil](/molmil-images/mine/4jf2) | |
4JG1
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![BU of 4jg1 by Molmil](/molmil-images/mine/4jg1) | Structure of phosphoserine/threonine (pSTAb) scaffold bound to pThr peptide | Descriptor: | Fab heavy chain, Fab light chain, PROPANOIC ACID, ... | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Nature-inspired design of motif-specific antibody scaffolds. Nat.Biotechnol., 31, 2013
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1SZS
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![BU of 1szs by Molmil](/molmil-images/mine/1szs) | The structure of gamma-aminobutyrate aminotransferase mutant: I50Q | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | Authors: | Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-04-06 | Release date: | 2005-03-01 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase. Biochemistry, 44, 2005
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1T31
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![BU of 1t31 by Molmil](/molmil-images/mine/1t31) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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4JML
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![BU of 4jml by Molmil](/molmil-images/mine/4jml) | |
1VC0
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![BU of 1vc0 by Molmil](/molmil-images/mine/1vc0) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in Imidazole and Sr2+ solution | Descriptor: | Hepatitis Delta virus ribozyme, STRONTIUM ION, U1 small nuclear ribonucleoprotein A | 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 (2.5 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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4JFY
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![BU of 4jfy by Molmil](/molmil-images/mine/4jfy) | Apo structure of phosphotyrosine (pYAb) scaffold | Descriptor: | Fab heavy chain, Fab light chain, TETRAETHYLENE GLYCOL | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Nature-inspired design of motif-specific antibody scaffolds. Nat.Biotechnol., 31, 2013
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4KJO
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1UXM
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![BU of 1uxm by Molmil](/molmil-images/mine/1uxm) | A4V mutant of human SOD1 | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION | Authors: | Hough, M.A, Grossmann, J.G, Antonyuk, S.V, Strange, R.W, Doucette, P.A, Rodriguez, J.A, Whitson, L.J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | Deposit date: | 2004-02-26 | Release date: | 2004-03-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dimer Destabilization in Superoxide Dismutase May Result in Disease-Causing Properties: Structures of Motor Neuron Disease Mutants Proc.Natl.Acad.Sci.USA, 101, 2004
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1US8
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![BU of 1us8 by Molmil](/molmil-images/mine/1us8) | The Rad50 signature motif: essential to ATP binding and biological function | Descriptor: | DNA DOUBLE-STRAND BREAK REPAIR RAD50 ATPASE | Authors: | Moncalian, G, Lengsfeld, B, Bhaskara, V, Hopfner, K.P, Karcher, A, Alden, E, Tainer, J.A, Paull, T.T. | Deposit date: | 2003-11-20 | Release date: | 2003-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Rad50 Signature Motif: Essential to ATP Binding and Biological Function J.Mol.Biol., 335, 2004
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1VC6
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![BU of 1vc6 by Molmil](/molmil-images/mine/1vc6) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Product with C75U Mutaion, cleaved in Imidazole and Mg2+ solutions | Descriptor: | Hepatitis Delta virus ribozyme, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-04 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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4KEM
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![BU of 4kem by Molmil](/molmil-images/mine/4kem) | Crystal structure of a tartrate dehydratase from azospirillum, target efi-502395, with bound mg and a putative acrylate ion, ordered active site | Descriptor: | ACRYLIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-04-25 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of a tartrate dehydratase from azospirillum, target efi-502395, with bound mg and a putative acrylate ion, ordered active site To be Published
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1TB6
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![BU of 1tb6 by Molmil](/molmil-images/mine/1tb6) | 2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A. | Deposit date: | 2004-05-19 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin. Nat.Struct.Mol.Biol., 11, 2004
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1TBT
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![BU of 1tbt by Molmil](/molmil-images/mine/1tbt) | 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: | 2004-05-20 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 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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1TH9
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![BU of 1th9 by Molmil](/molmil-images/mine/1th9) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, SULFATE ION, 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: | 2004-06-01 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.63 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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1THO
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1T15
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![BU of 1t15 by Molmil](/molmil-images/mine/1t15) | Crystal Structure of the Brca1 BRCT Domains in Complex with the Phosphorylated Interacting Region from Bach1 Helicase | Descriptor: | BRCA1 interacting protein C-terminal helicase 1, Breast cancer type 1 susceptibility protein | Authors: | Clapperton, J.A, Manke, I.A, Lowery, D.M, Ho, T, Haire, L.F, Yaffe, M.B, Smerdon, S.J. | Deposit date: | 2004-04-15 | Release date: | 2004-05-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and mechanism of BRCA1 BRCT domain recognition of phosphorylated BACH1 with implications for cancer Nat.Struct.Mol.Biol., 11, 2004
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4KT2
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![BU of 4kt2 by Molmil](/molmil-images/mine/4kt2) | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol | Descriptor: | CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-05-19 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol To be Published
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1SZX
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![BU of 1szx by Molmil](/molmil-images/mine/1szx) | Role Of Hydrogen Bonding In The Active Site Of Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Greenleaf, W.B, Perry, J.J, Hearn, A.S, Cabelli, D.E, Lepock, J.R, Stroupe, M.E, Tainer, J.A, Nick, H.S, Silverman, D.N. | Deposit date: | 2004-04-06 | Release date: | 2004-04-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Role of hydrogen bonding in the active site of human manganese superoxide dismutase. Biochemistry, 43, 2004
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4KC4
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![BU of 4kc4 by Molmil](/molmil-images/mine/4kc4) | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | Descriptor: | 5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ... | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | Deposit date: | 2013-04-24 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate. Chemistry, 19, 2013
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4KE3
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![BU of 4ke3 by Molmil](/molmil-images/mine/4ke3) | Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2) | Descriptor: | Glutathione S-transferase domain | 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: | 2013-04-25 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2) To be Published
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