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4R3Z
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BU of 4r3z by Molmil
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
2NU8
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BU of 2nu8 by Molmil
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
5HFC
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BU of 5hfc by Molmil
The third PDZ domain from the synaptic protein PSD-95 (H372A mutant) in complex with a mutant C-terminal peptide derived from CRIPT (T-2F)
Descriptor: Cysteine-rich PDZ-binding protein, Disks large homolog 4
Authors:White, K.I, Raman, A.S, Ranganathan, R.
Deposit date:2016-01-06
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Origins of Allostery and Evolvability in Proteins: A Case Study.
Cell(Cambridge,Mass.), 166, 2016
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
Descriptor: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
3NA5
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BU of 3na5 by Molmil
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
7THN
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BU of 7thn by Molmil
Crystal structure of PigI trapped with PigG using a proline adenosine vinylsulfonamide inhibitor
Descriptor: 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, AZIDE ION, GLYCEROL, ...
Authors:Corpuz, J.C, Podust, L.M.
Deposit date:2022-01-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Essential Role of Loop Dynamics in Type II NRPS Biomolecular Recognition.
Acs Chem.Biol., 17, 2022
5H1U
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BU of 5h1u by Molmil
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
2IDV
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BU of 2idv by Molmil
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
2NSY
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BU of 2nsy by Molmil
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
4GX7
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BU of 4gx7 by Molmil
Vibrio Cholerae Cytolysin Beta-Prism Domain With Methyl-Alpha-Mannose Bound
Descriptor: Cytolysin and hemolysin HlyA Pore-forming toxin, methyl alpha-D-mannopyranoside
Authors:Levan, S, Olson, R.
Deposit date:2012-09-04
Release date:2013-01-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Vibrio cholerae Cytolysin Recognizes the Heptasaccharide Core of Complex N-Glycans with Nanomolar Affinity.
J.Mol.Biol., 425, 2013
5HEB
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BU of 5heb by Molmil
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
3KPY
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BU of 3kpy by Molmil
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
3UDJ
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BU of 3udj by Molmil
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
5H1T
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BU of 5h1t by Molmil
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
3V6N
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BU of 3v6n by Molmil
Crystal structure of a plant albumin from Cicer Arietinum showing hemagglutination
Descriptor: CALCIUM ION, CHLORIDE ION, IODIDE ION, ...
Authors:Sharma, U, Suresh, C.G.
Deposit date:2011-12-20
Release date:2012-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a plant albumin from Cicer arietinum (chickpea) possessing hemopexin fold and hemagglutination activity
Planta, 2015
1OWZ
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BU of 1owz by Molmil
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
2NU6
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BU of 2nu6 by Molmil
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
3GY5
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BU of 3gy5 by Molmil
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
5T35
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BU of 5t35 by Molmil
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
2A7X
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BU of 2a7x by Molmil
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
3KPV
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BU of 3kpv by Molmil
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
3KQQ
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BU of 3kqq by Molmil
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
3KQY
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BU of 3kqy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-7-ol
Descriptor: 2-amino-1H-benzimidazol-7-ol, 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 (2.2 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
6I9Y
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BU of 6i9y by Molmil
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
1OVK
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BU of 1ovk by Molmil
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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