4XW0
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4GTM
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![BU of 4gtm by Molmil](/molmil-images/mine/4gtm) | FTase in complex with BMS analogue 11 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-28 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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4Y0D
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![BU of 4y0d by Molmil](/molmil-images/mine/4y0d) | Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) | Descriptor: | (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | Authors: | Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L. | Deposit date: | 2015-02-05 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) J. Am. Chem. Soc., 2015
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4EAA
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![BU of 4eaa by Molmil](/molmil-images/mine/4eaa) | X-ray crystal structure of the H141N mutant of perosamine N-acetyltransferase from Caulobacter crescentus in complex with CoA and GDP-perosamine | Descriptor: | CHLORIDE ION, COENZYME A, GDP-perosamine, ... | Authors: | Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. | Deposit date: | 2012-03-22 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Biochemistry, 51, 2012
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4ER5
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![BU of 4er5 by Molmil](/molmil-images/mine/4er5) | Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 | Descriptor: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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1FT1
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2BTM
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4EG6
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![BU of 4eg6 by Molmil](/molmil-images/mine/4eg6) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325 | Descriptor: | 4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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7LHZ
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![BU of 7lhz by Molmil](/molmil-images/mine/7lhz) | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | Descriptor: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | Authors: | Noeske, J, Shu, W, Bellamacina, C. | Deposit date: | 2021-01-26 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria. J.Med.Chem., 64, 2021
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4XFE
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![BU of 4xfe by Molmil](/molmil-images/mine/4xfe) | Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, TRAP dicarboxylate transporter subunit DctP, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-26 | Release date: | 2015-01-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate To be published
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1K5Q
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![BU of 1k5q by Molmil](/molmil-images/mine/1k5q) | PENICILLIN ACYLASE, MUTANT COMPLEXED WITH PAA | Descriptor: | 2-PHENYLACETIC ACID, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | Authors: | Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W. | Deposit date: | 2001-10-12 | Release date: | 2003-09-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase. Protein Eng.Des.Sel., 17, 2004
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1ZGU
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![BU of 1zgu by Molmil](/molmil-images/mine/1zgu) | Solution structure of the human Mms2-Ubiquitin complex | Descriptor: | Ubiquitin, Ubiquitin-conjugating enzyme E2 variant 2 | Authors: | Lewis, M.J, Saltibus, L.F, Hau, D.D, Xiao, W, Spyracopoulos, L. | Deposit date: | 2005-04-22 | Release date: | 2006-04-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Basis for Non-Covalent Interaction Between Ubiquitin and the Ubiquitin Conjugating Enzyme Variant Human MMS2. J.Biomol.Nmr, 34, 2006
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1ZI9
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![BU of 1zi9 by Molmil](/molmil-images/mine/1zi9) | Crystal Structure Analysis of the dienelactone hydrolase (E36D, C123S) mutant- 1.5 A | Descriptor: | Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION | Authors: | Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L. | Deposit date: | 2005-04-27 | Release date: | 2005-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase. Acta Crystallogr.,Sect.D, 61, 2005
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4HED
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![BU of 4hed by Molmil](/molmil-images/mine/4hed) | Zebrafish chemokine CXL1 | Descriptor: | Uncharacterized protein | Authors: | Rajasekaran, D, Fan, C, Meng, W, Pflugrath, J.W, Lolis, E.J. | Deposit date: | 2012-10-03 | Release date: | 2013-08-21 | Last modified: | 2014-04-23 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural insight into the evolution of a new chemokine family from zebrafish. Proteins, 82, 2014
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1Z3W
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![BU of 1z3w by Molmil](/molmil-images/mine/1z3w) | Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobioimidazole | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, cellulase | Authors: | Ubhayasekera, W, Vasella, A, Stahlberg, J, Mowbray, S.L. | Deposit date: | 2005-03-14 | Release date: | 2005-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors Febs J., 272, 2005
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4XIN
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1ZJ4
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![BU of 1zj4 by Molmil](/molmil-images/mine/1zj4) | Crystal Structure Analysis of the dienelactone hydrolase mutant (E36D, C123S) bound with the PMS moiety of the protease inhibitor, Phenylmethylsulfonyl fluoride (PMSF)- 1.7 A | Descriptor: | Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION | Authors: | Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L. | Deposit date: | 2005-04-28 | Release date: | 2005-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase. Acta Crystallogr.,Sect.D, 61, 2005
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4XL2
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![BU of 4xl2 by Molmil](/molmil-images/mine/4xl2) | Crystal structure of oxidized form of thiolase from Clostridium acetobutylicum | Descriptor: | ACETATE ION, Acetyl-CoA acetyltransferase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J. | Deposit date: | 2015-01-13 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum Nat Commun, 6, 2015
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4XM2
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![BU of 4xm2 by Molmil](/molmil-images/mine/4xm2) | N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus in the absence of cadmium | Descriptor: | Uncharacterized protein, ZINC ION | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K. | Deposit date: | 2015-01-14 | Release date: | 2015-06-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus. Acta Crystallogr.,Sect.F, 71, 2015
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4XM0
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![BU of 4xm0 by Molmil](/molmil-images/mine/4xm0) | N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the absence of cadmium | Descriptor: | Uncharacterized protein, ZINC ION | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K. | Deposit date: | 2015-01-14 | Release date: | 2015-06-10 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus. Acta Crystallogr.,Sect.F, 71, 2015
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3MSS
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1K3K
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![BU of 1k3k by Molmil](/molmil-images/mine/1k3k) | Solution Structure of a Bcl-2 Homolog from Kaposi's Sarcoma Virus | Descriptor: | functional anti-apoptotic factor vBCL-2 homolog | Authors: | Huang, Q, Petros, A.M, Virgin, H.W, Fesik, S.W, Olejniczak, E.T. | Deposit date: | 2001-10-03 | Release date: | 2002-04-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a Bcl-2 homolog from Kaposi sarcoma virus. Proc.Natl.Acad.Sci.USA, 99, 2002
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1VYI
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![BU of 1vyi by Molmil](/molmil-images/mine/1vyi) | Structure of the c-terminal domain of the polymerase cofactor of rabies virus: insights in function and evolution. | Descriptor: | GLYCEROL, RNA POLYMERASE ALPHA SUBUNIT | Authors: | Mavrakis, M, McCarthy, A.A, Roche, S, Blondel, D, Ruigrok, R.W.H. | Deposit date: | 2004-04-30 | Release date: | 2004-10-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and Function of the C-Terminal Domain of the Polymerase Cofactor of Rabies Virus J.Mol.Biol., 343, 2004
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4XVI
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4XW1
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