5JXX
 
 | | Crystal structure of UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4. | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CITRATE ANION, GLYCEROL | | Authors: | Pratap, S, Kesari, P, Yadav, R, Narwal, M, Dev, A, Kumar, P. | | Deposit date: | 2016-05-13 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies.
Int. J. Biol. Macromol., 96, 2017
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5K01
 | | Crystal Structure of COMT in complex with 2,7-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine | | Descriptor: | 2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.383 Å) | | Cite: | Crystal Structure of COMT
To Be Published
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5JVX
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5K0B
 | | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(1-phenylethyl)-1H-pyrazol-5-yl]-1,3-thiazole | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ... | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5JXN
 | | Thermolysin in complex with JC240. | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | Deposit date: | 2016-05-13 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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5K1X
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1M5T
 | | CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK | | Descriptor: | cell division response regulator DivK | | Authors: | Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-07-10 | | Release date: | 2002-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic and biochemical studies of DivK reveal novel features of an essential response regulator in Caulobacter crescentus
J.Biol.Chem., 277, 2002
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5K0E
 | | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole | | Descriptor: | 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of COMT
To Be Published
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5K0L
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K5K
 | | Crystal structure of laccasse from Thermus thermophilus HB27 (ascorbic acid 10 min) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
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5JVK
 | | Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2. | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Ali-Ahmad, A, Garron, M.L, Zamboni, V, Lenfant, N, Bourne, Y, Vincent, F. | | Deposit date: | 2016-05-11 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2.
J. Struct. Biol., 197, 2017
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2WSN
 | | Structure of Enhanced Cyan Fluorescent Protein at physiological pH | | Descriptor: | GREEN FLUORESCENT PROTEIN | | Authors: | Lelimousin, M, Noirclerc-Savoye, M, Lazareno-Saez, C, Paetzold, B, Le Vot, S, Chazal, R, Macheboeuf, P, Field, M.J, Bourgeois, D, Royant, A. | | Deposit date: | 2009-09-08 | | Release date: | 2009-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Intrinsic Dynamics in Ecfp and Cerulean Control Fluorescence Quantum Yield.
Biochemistry, 48, 2009
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5JVO
 | | Crystal structure of the Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis | | Descriptor: | Arginine repressor, SULFATE ION, TYROSINE | | Authors: | Mariutti, R.B, Ullah, A, Murakami, M.T, Arni, R.K. | | Deposit date: | 2016-05-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tyrosine binding and promiscuity in the arginine repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis.
Biochem.Biophys.Res.Commun., 475, 2016
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2FU5
 | | structure of Rab8 in complex with MSS4 | | Descriptor: | BETA-MERCAPTOETHANOL, Guanine nucleotide exchange factor MSS4, Ras-related protein Rab-8A, ... | | Authors: | Itzen, A, Pylypenko, O, Goody, R.S, Rak, A. | | Deposit date: | 2006-01-26 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nucleotide exchange via local protein unfolding-structure of Rab8 in complex with MSS4
Embo J., 25, 2006
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6TOD
 | | Crystal structure of the Orexin-1 receptor in complex with EMPA | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, ... | | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | Deposit date: | 2019-12-11 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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1MPP
 | | X-RAY ANALYSES OF ASPARTIC PROTEINASES. V. STRUCTURE AND REFINEMENT AT 2.0 ANGSTROMS RESOLUTION OF THE ASPARTIC PROTEINASE FROM MUCOR PUSILLUS | | Descriptor: | PEPSIN, SULFATE ION | | Authors: | Newman, M, Watson, F, Roychowdhury, P, Jones, H, Badasso, M, Cleasby, A, Wood, S.P, Tickle, I.J, Blundell, T.L. | | Deposit date: | 1992-02-19 | | Release date: | 1993-10-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray analyses of aspartic proteinases. V. Structure and refinement at 2.0 A resolution of the aspartic proteinase from Mucor pusillus.
J.Mol.Biol., 230, 1993
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3HX4
 | | Crystal structure of CDPK1 of Toxoplasma gondii, TGME49_101440, in presence of calcium | | Descriptor: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | | Authors: | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, MacKenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-06-19 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
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6TQ9
 | | Crystal structure of the Orexin-1 receptor in complex with SB-408124 | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea, Orexin receptor type 1, ... | | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | Deposit date: | 2019-12-16 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.655 Å) | | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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1MPY
 | | STRUCTURE OF CATECHOL 2,3-DIOXYGENASE (METAPYROCATECHASE) FROM PSEUDOMONAS PUTIDA MT-2 | | Descriptor: | ACETONE, CATECHOL 2,3-DIOXYGENASE, FE (II) ION | | Authors: | Kita, A, Kita, S, Fujisawa, I, Inaka, K, Ishida, T, Horiike, K, Nozaki, M, Miki, K. | | Deposit date: | 1998-10-20 | | Release date: | 1999-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | An archetypical extradiol-cleaving catecholic dioxygenase: the crystal structure of catechol 2,3-dioxygenase (metapyrocatechase) from Ppseudomonas putida mt-2.
Structure Fold.Des., 7, 1999
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5K18
 | | The NatB Acetyltransferase Complex Bound To bisubstrate inhibitor | | Descriptor: | Bisubstrate inhibitor, COENZYME A, N-terminal acetyltransferase B complex subunit NAT3, ... | | Authors: | Hong, H, Cai, Y, Zhang, S, Han, A. | | Deposit date: | 2016-05-17 | | Release date: | 2017-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Molecular Basis of Substrate Specific Acetylation by N-Terminal Acetyltransferase NatB
Structure, 25, 2017
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2BCG
 | | Structure of doubly prenylated Ypt1:GDI complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERAN-8-YL GERAN, GTP-binding protein YPT1, ... | | Authors: | Pylypenko, O, Rak, A, Alexandrov, K. | | Deposit date: | 2005-10-19 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structure of doubly prenylated Ypt1:GDI complex and the mechanism of GDI-mediated Rab recycling
Embo J., 25, 2006
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1MB0
 | | CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK AT PH 8.0 IN COMPLEX WITH MN2+ | | Descriptor: | MANGANESE (II) ION, cell division response regulator DivK | | Authors: | Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-08-02 | | Release date: | 2002-12-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and Biochemical Studies of DivK Reveal Novel Features of
an Essential Response Regulator in Caulobacter crescentus.
J.Biol.Chem., 277, 2002
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4HUH
 | | Structure of the bacteriophage T4 tail terminator protein, gp15 (C-terminal truncation mutant 1-261). | | Descriptor: | Tail connector protein Gp15 | | Authors: | Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A, Arisaka, F, Rao, V.B, Rossmann, M.G. | | Deposit date: | 2012-11-02 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The molecular architecture of the bacteriophage t4 neck.
J.Mol.Biol., 425, 2013
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1CMS
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3HNA
 | | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and mono-Methylated H3K9 Peptide | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, Mono-Methylated H3K9 Peptide, ... | | Authors: | Min, J, Wu, H, Loppnau, P, Wleigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-30 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
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