3DEQ
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![BU of 3deq by Molmil](/molmil-images/mine/3deq) | Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Leu dipeptide | Descriptor: | ALANINE, LEUCINE, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-10 | Release date: | 2008-11-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening. Structure, 16, 2008
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3UIZ
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1SF2
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![BU of 1sf2 by Molmil](/molmil-images/mine/1sf2) | Structure of E. coli gamma-aminobutyrate aminotransferase | Descriptor: | 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-02-19 | Release date: | 2004-09-14 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase. Biochemistry, 43, 2004
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1SOS
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![BU of 1sos by Molmil](/molmil-images/mine/1sos) | ATOMIC STRUCTURES OF WILD-TYPE AND THERMOSTABLE MUTANT RECOMBINANT HUMAN CU, ZN SUPEROXIDE DISMUTASE | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE, ... | Authors: | Parge, H.E, Hallewell, R.A, Tainer, J.A. | Deposit date: | 1992-02-11 | Release date: | 1993-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomic structures of wild-type and thermostable mutant recombinant human Cu,Zn superoxide dismutase. Proc.Natl.Acad.Sci.USA, 89, 1992
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5A88
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![BU of 5a88 by Molmil](/molmil-images/mine/5a88) | Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, GLYCEROL, ... | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M. | Deposit date: | 2015-07-13 | Release date: | 2015-12-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural Insights Into the Synthesis of Fmn in Prokaryotic Organisms. Acta Crystallogr.,Sect.D, 71, 2015
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3DI2
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1SL3
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![BU of 1sl3 by Molmil](/molmil-images/mine/1sl3) | crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor | Descriptor: | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE, Hirudin, thrombin | Authors: | Young, M.B, Barrow, J.C, Glass, K.L, Lundell, G.F, Newton, C.L, Pellicore, J.M, Rittle, K.E, Selnick, H.G, Stauffer, K.J, Vacca, J.P, Williams, P.D, Bohn, D, Clayton, F.C, Cook, J.J, Krueger, J.A, Kuo, L.C, Lewis, S.D, Lucas, B.J, McMasters, D.R, Miller-Stein, C, Pietrak, B.L. | Deposit date: | 2004-03-05 | Release date: | 2004-08-03 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors J.Med.Chem., 47, 2004
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5A27
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![BU of 5a27 by Molmil](/molmil-images/mine/5a27) | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor. | Descriptor: | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Rackham, M.D, Yu, Z, Brannigan, J.A, Heal, W.P, Paape, D, Barker, K.V, Wilkinson, A.J, Smith, D.F, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2015-05-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase. Medchemcomm, 6, 2015
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1SO6
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![BU of 1so6 by Molmil](/molmil-images/mine/1so6) | Crystal structure of E112Q/H136A double mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | Deposit date: | 2004-03-12 | Release date: | 2004-06-08 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence for a Proton Relay System in the Active Site of 3-Keto-l-gulonate 6-Phosphate Decarboxylase(,) Biochemistry, 43, 2004
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5A28
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![BU of 5a28 by Molmil](/molmil-images/mine/5a28) | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor. | Descriptor: | 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Rackham, M.D, Yu, Z, Brannigan, J.A, Heal, W.P, Paape, D, Barker, K.V, Wilkinson, A.J, Smith, D.F, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2015-05-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase. Medchemcomm, 6, 2015
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3DDM
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![BU of 3ddm by Molmil](/molmil-images/mine/3ddm) | CRYSTAL STRUCTURE OF MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME FROM Bordetella bronchiseptica RB50 | Descriptor: | Putative mandelate racemase/muconate lactonizing enzyme | Authors: | Fedorov, A.A, Fedorov, E.V, Toro, R, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-05 | Release date: | 2008-06-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CRYSTAL STRUCTURE OF MANDELATE RACEMASE/MUCONATE
LACTONIZING ENZYME FROM Bordetella bronchiseptica RB50 To be Published
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1SJA
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![BU of 1sja by Molmil](/molmil-images/mine/1sja) | X-ray structure of o-Succinylbenzoate Synthase complexed with N-acetylmethionine | Descriptor: | MAGNESIUM ION, N-ACETYLMETHIONINE, N-acylamino acid racemase | Authors: | Thoden, J.B, Taylor-Ringia, E.A, Garrett, J.B, Gerlt, J.A, Holden, H.M, Rayment, I. | Deposit date: | 2004-03-03 | Release date: | 2004-06-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolution of Enzymatic Activity in the Enolase Superfamily: Structural Studies of the Promiscuous o-Succinylbenzoate Synthase from Amycolatopsis Biochemistry, 43, 2004
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3ULI
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![BU of 3uli by Molmil](/molmil-images/mine/3uli) | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | Descriptor: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | Authors: | Larsen, N.A, Tucker, J.A, Wang, T. | Deposit date: | 2011-11-10 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases. Bioorg.Med.Chem.Lett., 22, 2012
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3DGB
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![BU of 3dgb by Molmil](/molmil-images/mine/3dgb) | Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-13 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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5AHR
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![BU of 5ahr by Molmil](/molmil-images/mine/5ahr) | Crystal structure of human DNA cross-link repair 1A, crystal form B | Descriptor: | 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION | Authors: | Allerston, C.K, Newman, J.A, Vollmar, M, Goubin, S, Forese, D.S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2015-02-06 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities. Nucleic Acids Res., 43, 2015
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3UGE
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![BU of 3uge by Molmil](/molmil-images/mine/3uge) | Silver Metallated Pseudomonas aeruginosa Azurin at 1.70 A | Descriptor: | Azurin, SILVER ION | Authors: | Panzner, M.J, Billinovich, S.M, Parker, J.A, Bladholm, E, Berry, S.M, Ziegler, C.J, Leeper, T.C. | Deposit date: | 2011-11-02 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Silver Metallation of Pseudomonas aeruginosa Azurin To be Published
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3UEK
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![BU of 3uek by Molmil](/molmil-images/mine/3uek) | Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase | Descriptor: | Poly(ADP-ribose) glycohydrolase | Authors: | Kim, I.K, Kiefer, J.R, Stegemann, R.A, Classen, S, Tainer, J.A, Ellenberger, T. | Deposit date: | 2011-10-30 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of mammalian poly(ADP-ribose) glycohydrolase reveals a flexible tyrosine clasp as a substrate-binding element. Nat.Struct.Mol.Biol., 19, 2012
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5AHO
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![BU of 5aho by Molmil](/molmil-images/mine/5aho) | Crystal structure of human 5' exonuclease Apollo | Descriptor: | 1,2-ETHANEDIOL, 5' EXONUCLEASE APOLLO, L(+)-TARTARIC ACID, ... | Authors: | Allerston, C.K, Vollmar, M, Krojer, T, Pike, A.C.W, Newman, J.A, Carpenter, E, Quigley, A, Mahajan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Gileadi, O. | Deposit date: | 2015-02-06 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities. Nucleic Acids Res., 43, 2015
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5AO7
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![BU of 5ao7 by Molmil](/molmil-images/mine/5ao7) | Crystal Structure of SltB3 from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dominguez-Gil, T, Hermoso, J.A. | Deposit date: | 2015-09-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Turnover of Bacterial Cell Wall by Sltb3, a Multidomain Lytic Transglycosylase of Pseudomonas Aeruginosa. Acs Chem.Biol., 11, 2016
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3UGV
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![BU of 3ugv by Molmil](/molmil-images/mine/3ugv) | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG | Descriptor: | CHLORIDE ION, Enolase, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-11-03 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG to be published
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1SO5
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![BU of 1so5 by Molmil](/molmil-images/mine/1so5) | Crystal structure of E112Q mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | Deposit date: | 2004-03-12 | Release date: | 2004-06-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence for a Proton Relay System in the Active Site of 3-Keto-l-gulonate 6-Phosphate Decarboxylase(,) Biochemistry, 43, 2004
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5AO8
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3DG3
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![BU of 3dg3 by Molmil](/molmil-images/mine/3dg3) | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-12 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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5AXH
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![BU of 5axh by Molmil](/molmil-images/mine/5axh) | Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus, D312G mutant in complex with isomaltohexaose | Descriptor: | Dextranase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Suzuki, N, Kishine, N, Fujimoto, Z, Sakurai, M, Momma, M, Ko, J.A, Nam, S.H, Kimura, A, Kim, Y.M. | Deposit date: | 2015-07-29 | Release date: | 2015-11-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus J.Biochem., 159, 2016
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5AOB
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![BU of 5aob by Molmil](/molmil-images/mine/5aob) | The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-butyrate bound | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A. | Deposit date: | 2015-09-10 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain. Front.Microbiol., 6, 2015
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