5KAX
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![BU of 5kax by Molmil](/molmil-images/mine/5kax) | The structure of CTR107 protein bound to RHODAMINE 6G | Descriptor: | CTR107 protein, GLYCEROL, RHODAMINE 6G | Authors: | Moreno, A, Wade, H. | Deposit date: | 2016-06-02 | Release date: | 2016-08-24 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins. Biochemistry, 55, 2016
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5HFB
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3DAY
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![BU of 3day by Molmil](/molmil-images/mine/3day) | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, ... | Authors: | Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-30 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A. J.Mol.Biol., 388, 2009
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5FHT
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![BU of 5fht by Molmil](/molmil-images/mine/5fht) | HtrA2 protease mutant V226K | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Golik, P, Dubin, G, Zurawa-Janicka, D, Lipinska, B, Jarzab, M, Wenta, T, Gieldon, A, Ciarkowski, A. | Deposit date: | 2015-12-22 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Distinct 3D Architecture and Dynamics of the Human HtrA2(Omi) Protease and Its Mutated Variants. Plos One, 11, 2016
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5L1W
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1A4A
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2AUO
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![BU of 2auo by Molmil](/molmil-images/mine/2auo) | Residue F4 plays a key role in modulating the oxygen affinity and cooperatrivity in Scapharca dimeric hemoglobin | Descriptor: | CARBON MONOXIDE, Globin I, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | Deposit date: | 2005-08-28 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin Biochemistry, 44, 2005
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6CZG
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6SPO
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![BU of 6spo by Molmil](/molmil-images/mine/6spo) | Structure of the Escherichia coli methionyl-tRNA synthetase complexed with methionine | Descriptor: | CITRIC ACID, GLYCEROL, METHIONINE, ... | Authors: | Nigro, G, Schmitt, E, Mechulam, Y. | Deposit date: | 2019-09-02 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase. J.Struct.Biol., 209, 2020
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5ONH
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![BU of 5onh by Molmil](/molmil-images/mine/5onh) | Quaternary complex of wild type E. coli leucyl-tRNA synthetase with tRNA(leu), leucyl-adenylate analogue, and post-transfer editing analogue of norvaline in the aminoacylation conformation | Descriptor: | 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 5'-O-(L-leucylsulfamoyl)adenosine, L-leucyl-tRNA(Leu), ... | Authors: | Palencia, A, Cusack, S. | Deposit date: | 2017-08-03 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Kinetic Origin of Substrate Specificity in Post-Transfer Editing by Leucyl-tRNA Synthetase. J. Mol. Biol., 430, 2018
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5ZH4
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![BU of 5zh4 by Molmil](/molmil-images/mine/5zh4) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-7 | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5L1V
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1A4B
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5L1R
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![BU of 5l1r by Molmil](/molmil-images/mine/5l1r) | X-ray Structure of the Substrate-free Cytochrome P450 PntM | Descriptor: | BICINE, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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1EF2
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![BU of 1ef2 by Molmil](/molmil-images/mine/1ef2) | CRYSTAL STRUCTURE OF MANGANESE-SUBSTITUTED KLEBSIELLA AEROGENES UREASE | Descriptor: | MANGANESE (II) ION, UREASE ALPHA SUBUNIT, UREASE BETA SUBUNIT, ... | Authors: | Yamaguchi, K, Cosper, N.J, Stalhandske, C, Scott, R.A, Pearson, M.A, Karplus, P.A, Hausinger, R.P. | Deposit date: | 2000-02-05 | Release date: | 2000-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Characterization of metal-substituted Klebsiella aerogenes urease. J.Biol.Inorg.Chem., 4, 1999
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5L1O
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![BU of 5l1o by Molmil](/molmil-images/mine/5l1o) | X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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5L1Q
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![BU of 5l1q by Molmil](/molmil-images/mine/5l1q) | X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F | Descriptor: | Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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1A4C
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![BU of 1a4c by Molmil](/molmil-images/mine/1a4c) | AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS | Descriptor: | AZURIN, COPPER (II) ION, NITRATE ION, ... | Authors: | Messerschmidt, A, Prade, L. | Deposit date: | 1998-01-28 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH. Proc.Natl.Acad.Sci.USA, 95, 1998
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5A0Q
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5L1S
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1AJB
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![BU of 1ajb by Molmil](/molmil-images/mine/1ajb) | THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Dealwis, C.G, Chen, L, Abad-Zapatero, C. | Deposit date: | 1995-08-19 | Release date: | 1995-11-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 3-D structure of the D153G mutant of Escherichia coli alkaline phosphatase: an enzyme with weaker magnesium binding and increased catalytic activity. Protein Eng., 8, 1995
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1FX9
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![BU of 1fx9 by Molmil](/molmil-images/mine/1fx9) | CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + SULPHATE IONS) | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHOLIPASE A2, ... | Authors: | Pan, Y.H, Epstein, T.M, Jain, M.K, Bahnson, B.J. | Deposit date: | 2000-09-25 | Release date: | 2001-09-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Five coplanar anion binding sites on one face of phospholipase A2: relationship to interface binding. Biochemistry, 40, 2001
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4MW0
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![BU of 4mw0 by Molmil](/molmil-images/mine/4mw0) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea (Chem 1392) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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5ZH3
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![BU of 5zh3 by Molmil](/molmil-images/mine/5zh3) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-6 | Descriptor: | (3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, LYSINE, Lysine-tRNA ligase | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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3MSN
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![BU of 3msn by Molmil](/molmil-images/mine/3msn) | Crystal structure of Thermolysin in complex with N-methylurea | Descriptor: | CALCIUM ION, GLYCEROL, N-METHYLUREA, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-04-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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