4ZG6
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![BU of 4zg6 by Molmil](/molmil-images/mine/4zg6) | Structural basis for inhibition of human autotaxin by four novel compounds | Descriptor: | 4-{(Z)-2-[6-chloro-1-(4-fluorobenzyl)-1H-indol-3-yl]-1-cyanoethenyl}benzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | Deposit date: | 2015-04-22 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding. Mol.Pharmacol., 88, 2015
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4ZG9
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![BU of 4zg9 by Molmil](/molmil-images/mine/4zg9) | Structural basis for inhibition of human autotaxin by four novel compounds | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid, ... | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | Deposit date: | 2015-04-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding. Mol.Pharmacol., 88, 2015
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2EVP
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![BU of 2evp by Molmil](/molmil-images/mine/2evp) | The Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins | Descriptor: | BETA-MERCAPTOETHANOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Qin, J, Perera, R, Lovelace, L.L, Dawson, J.H, Lebioda, L. | Deposit date: | 2005-10-31 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins(,). Biochemistry, 45, 2006
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2EVK
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![BU of 2evk by Molmil](/molmil-images/mine/2evk) | The Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins | Descriptor: | ACETIC ACID, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Qin, J, Perera, R, Lovelace, L.L, Dawson, J.H, Lebioda, L. | Deposit date: | 2005-10-31 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of thiolate- and carboxylate-ligated ferric H93G myoglobin: models for cytochrome P450 and for oxyanion-bound heme proteins. Biochemistry, 45, 2006
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1JXN
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![BU of 1jxn by Molmil](/molmil-images/mine/1jxn) | Crystal Structure of the Lectin I from Ulex europaeus in complex with the methyl glycoside of alpha-L-fucose | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Audette, G.F, Olson, D.J.H, Ross, A.R.S, Quail, J.W, Delbaere, L.T.J. | Deposit date: | 2001-09-07 | Release date: | 2002-12-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Examination of the Structural Basis for O(H) Blood Group Specificity by Ulex europaeus Lectin I Can.J.Chem., 80, 2002
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1Y6A
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![BU of 1y6a by Molmil](/molmil-images/mine/1y6a) | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | Descriptor: | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2 | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | Deposit date: | 2004-12-05 | Release date: | 2005-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
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1Y6B
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![BU of 1y6b by Molmil](/molmil-images/mine/1y6b) | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | Descriptor: | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2 | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | Deposit date: | 2004-12-05 | Release date: | 2005-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
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4G4Y
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![BU of 4g4y by Molmil](/molmil-images/mine/4g4y) | |
4G4Z
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![BU of 4g4z by Molmil](/molmil-images/mine/4g4z) | |
4H07
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![BU of 4h07 by Molmil](/molmil-images/mine/4h07) | Complex of G65T Myoglobin with Phenol in its Proximal Cavity | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PHENOL, ... | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | Deposit date: | 2012-09-07 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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4H0B
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![BU of 4h0b by Molmil](/molmil-images/mine/4h0b) | Complex of G65T Myoglobin with DMSO in its Distal Cavity | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Myoglobin, ... | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | Deposit date: | 2012-09-07 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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4G4W
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![BU of 4g4w by Molmil](/molmil-images/mine/4g4w) | Crystal structure of peptidoglycan-associated lipoprotein from Acinetobacter baumannii | Descriptor: | ALANINE, GLYCEROL, Peptidoglycan-associated lipoprotein, ... | Authors: | Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y. | Deposit date: | 2012-07-16 | Release date: | 2013-07-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA to be published
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4G4V
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4G4X
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![BU of 4g4x by Molmil](/molmil-images/mine/4g4x) | Crystal structure of peptidoglycan-associated lipoprotein from Acinetobacter baumannii | Descriptor: | D-ALANINE, GLYCEROL, Peptidoglycan-associated lipoprotein, ... | Authors: | Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y. | Deposit date: | 2012-07-16 | Release date: | 2013-07-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA To be Published
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4G88
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![BU of 4g88 by Molmil](/molmil-images/mine/4g88) | Crystal structure of OmpA peptidoglycan-binding domain from Acinetobacter baumannii | Descriptor: | 2,6-DIAMINOPIMELIC ACID, Outer membrane protein Omp38, S,R MESO-TARTARIC ACID | Authors: | Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y. | Deposit date: | 2012-07-22 | Release date: | 2013-07-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA to be published
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5UM6
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![BU of 5um6 by Molmil](/molmil-images/mine/5um6) | Crystal Structure of S. pombe Uba1 in a closed conformation | Descriptor: | 2-(decylamino)ethane-1-thiol, N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine, SULFATE ION, ... | Authors: | Lv, Z, Yuan, L, Aldana-Masangkay, G, Atkison, J.H, Chen, Y, Olsen, S.K. | Deposit date: | 2017-01-26 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Domain alternation and active site remodeling are conserved structural features of ubiquitin E1. J. Biol. Chem., 292, 2017
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1HLK
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![BU of 1hlk by Molmil](/molmil-images/mine/1hlk) | METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR | Descriptor: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, BETA-LACTAMASE, TYPE II, ... | Authors: | Payne, D.J, Hueso-Rodriguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Chever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Diez, E, Perez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | Deposit date: | 2000-12-01 | Release date: | 2001-11-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases Antimicrob.Agents Chemother., 46, 2002
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1KR3
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![BU of 1kr3 by Molmil](/molmil-images/mine/1kr3) | Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050. | Descriptor: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ... | Authors: | Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | Deposit date: | 2002-01-08 | Release date: | 2003-01-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
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1DDK
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![BU of 1ddk by Molmil](/molmil-images/mine/1ddk) | CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA | Descriptor: | ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION | Authors: | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | Deposit date: | 1999-11-10 | Release date: | 2000-11-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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1DD6
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![BU of 1dd6 by Molmil](/molmil-images/mine/1dd6) | IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR | Descriptor: | (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ... | Authors: | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | Deposit date: | 1999-11-08 | Release date: | 2000-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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1OFU
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![BU of 1ofu by Molmil](/molmil-images/mine/1ofu) | |
1OFT
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![BU of 1oft by Molmil](/molmil-images/mine/1oft) | |
4K87
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![BU of 4k87 by Molmil](/molmil-images/mine/4k87) | Crystal structure of human prolyl-tRNA synthetase (substrate bound form) | Descriptor: | ADENOSINE, PROLINE, Proline--tRNA ligase, ... | Authors: | Hwang, K.Y, Son, J.H, Lee, E.H. | Deposit date: | 2013-04-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone. Acta Crystallogr.,Sect.D, 69, 2013
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4K88
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![BU of 4k88 by Molmil](/molmil-images/mine/4k88) | Crystal structure of human prolyl-tRNA synthetase (halofuginone bound form) | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Proline--tRNA ligase, ZINC ION | Authors: | Hwang, K.Y, Son, J.H, Lee, E.H. | Deposit date: | 2013-04-18 | Release date: | 2013-10-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.619 Å) | Cite: | Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone. Acta Crystallogr.,Sect.D, 69, 2013
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4K86
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![BU of 4k86 by Molmil](/molmil-images/mine/4k86) | |