4R3Z
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![BU of 4r3z by Molmil](/molmil-images/mine/4r3z) | Crystal structure of human ArgRS-GlnRS-AIMP1 complex | Descriptor: | Aminoacyl tRNA synthase complex-interacting multifunctional protein 1, Arginine--tRNA ligase, cytoplasmic, ... | Authors: | Fu, Y, Kim, Y, Cho, Y. | Deposit date: | 2014-08-18 | Release date: | 2014-10-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (4.033 Å) | Cite: | Structure of the ArgRS-GlnRS-AIMP1 complex and its implications for mammalian translation Proc.Natl.Acad.Sci.USA, 111, 2014
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2NU8
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![BU of 2nu8 by Molmil](/molmil-images/mine/2nu8) | C123aT Mutant of E. coli Succinyl-CoA Synthetase | Descriptor: | COENZYME A, GLYCEROL, PHOSPHATE ION, ... | Authors: | Fraser, M.E. | Deposit date: | 2006-11-08 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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5HFC
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![BU of 5hfc by Molmil](/molmil-images/mine/5hfc) | |
4OJQ
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3NA5
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![BU of 3na5 by Molmil](/molmil-images/mine/3na5) | Crystal structure of a bacterial phosphoglucomutase, an enzyme important in the virulence of several human pathogens. | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Phosphoglucomutase | Authors: | Mehra-Chaudhary, R, Beamer, L.J. | Deposit date: | 2010-06-01 | Release date: | 2011-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a bacterial phosphoglucomutase, an enzyme involved in the virulence of multiple human pathogens. Proteins, 79, 2011
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7THN
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5H1U
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![BU of 5h1u by Molmil](/molmil-images/mine/5h1u) | Complex structure of TRIM24 PHD-bromodomain and inhibitor 2 | Descriptor: | 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | Authors: | Liu, J. | Deposit date: | 2016-10-11 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
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2IDV
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![BU of 2idv by Molmil](/molmil-images/mine/2idv) | Crystal structure of wheat C113S mutant EIF4E bound TO 7-methyl-GDP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E-1 | Authors: | Monzingo, A.F, Dutt-Chaudhuri, A, Sadow, J, Dhaliwal, S, Hoffman, D.W, Robertus, J.D, Browning, K.S. | Deposit date: | 2006-09-15 | Release date: | 2007-06-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond. Plant Physiol., 143, 2007
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2NSY
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![BU of 2nsy by Molmil](/molmil-images/mine/2nsy) | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS IN COMPLEX WITH NAD-ADENYLATE | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rizzi, M, Bolognesi, M, Coda, A. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel deamido-NAD+-binding site revealed by the trapped NAD-adenylate intermediate in the NAD+ synthetase structure. Structure, 6, 1998
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4GX7
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5HEB
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![BU of 5heb by Molmil](/molmil-images/mine/5heb) | The third PDZ domain from the synaptic protein PSD-95 in complex with a C-terminal peptide derived from CRIPT | Descriptor: | Cysteine-rich PDZ-binding protein, Disks large homolog 4, GLYCEROL | Authors: | White, K.I, Raman, A.S, Ranganathan, R. | Deposit date: | 2016-01-05 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Origins of Allostery and Evolvability in Proteins: A Case Study. Cell(Cambridge,Mass.), 166, 2016
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3KPY
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![BU of 3kpy by Molmil](/molmil-images/mine/3kpy) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole | Descriptor: | 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3UDJ
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![BU of 3udj by Molmil](/molmil-images/mine/3udj) | Crystal Structure of BACE with Compound 5 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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5H1T
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![BU of 5h1t by Molmil](/molmil-images/mine/5h1t) | Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 | Descriptor: | DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ... | Authors: | Liu, J. | Deposit date: | 2016-10-11 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
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3V6N
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1OWZ
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![BU of 1owz by Molmil](/molmil-images/mine/1owz) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 4-FluoroPhenEthyl Alcohol | Descriptor: | 4-FLUOROPHENETHYL ALCOHOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-31 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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2NU6
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![BU of 2nu6 by Molmil](/molmil-images/mine/2nu6) | C123aA Mutant of E. coli Succinyl-CoA Synthetase | Descriptor: | COENZYME A, SULFATE ION, Succinyl-CoA ligase [ADP-forming] subunit alpha, ... | Authors: | Fraser, M.E. | Deposit date: | 2006-11-08 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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3GY5
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![BU of 3gy5 by Molmil](/molmil-images/mine/3gy5) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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5T35
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![BU of 5t35 by Molmil](/molmil-images/mine/5t35) | The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ... | Authors: | Gadd, M.S, Zengerle, M, Ciulli, A. | Deposit date: | 2016-08-24 | Release date: | 2017-03-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of PROTAC cooperative recognition for selective protein degradation. Nat. Chem. Biol., 13, 2017
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2A7X
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![BU of 2a7x by Molmil](/molmil-images/mine/2a7x) | Crystal Structure of A Pantothenate synthetase complexed with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Pantoate-beta-alanine ligase, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-06 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action. Biochemistry, 45, 2006
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3KPV
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![BU of 3kpv by Molmil](/molmil-images/mine/3kpv) | Crystal Structure of hPNMT in Complex AdoHcy and Adenine | Descriptor: | ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQQ
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![BU of 3kqq by Molmil](/molmil-images/mine/3kqq) | Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid | Descriptor: | 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQY
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6I9Y
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![BU of 6i9y by Molmil](/molmil-images/mine/6i9y) | The 2.14 A X-ray crystal structure of Sporosarcina pasteurii urease in complex with Au(I) ions | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | Deposit date: | 2018-11-26 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Inhibition Mechanism of Urease by Au(III) Compounds Unveiled by X-ray Diffraction Analysis. Acs Med.Chem.Lett., 10, 2019
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1OVK
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![BU of 1ovk by Molmil](/molmil-images/mine/1ovk) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-26 | Release date: | 2004-04-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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