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3A4L
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BU of 3a4l by Molmil
Crystal structure of archaeal O-phosphoseryl-tRNA(Sec) kinase
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, L-seryl-tRNA(Sec) kinase, ...
Authors:Araiso, Y, Ishitani, R, Soll, D, Nureki, O.
Deposit date:2009-07-10
Release date:2009-10-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a tRNA-dependent kinase essential for selenocysteine decoding
Proc.Natl.Acad.Sci.USA, 106, 2009
4I17
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BU of 4i17 by Molmil
Crystal structure of a TPR repeats protein (BF2334) from Bacteroides fragilis NCTC 9343 at 1.50 A resolution
Descriptor: GLYCEROL, SULFATE ION, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-11-20
Release date:2012-12-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of a hypothetical protein (BF2334) from Bacteroides fragilis NCTC 9343 at 1.50 A resolution
To be published
1JVP
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BU of 1jvp by Molmil
Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365
Descriptor: 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole, Cell division protein kinase 2
Authors:Rondeau, J.M.
Deposit date:2001-08-31
Release date:2001-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure-based design and protein X-ray analysis of a protein kinase inhibitor.
Bioorg.Med.Chem.Lett., 12, 2002
3AMY
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BU of 3amy by Molmil
Crystal structure of human CK2 alpha complexed with apigenin
Descriptor: 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Casein kinase II subunit alpha
Authors:Sekiguchi, Y, Nakaniwa, T, Kinoshita, T, Tada, T.
Deposit date:2010-08-25
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human CK2 alpha complexed with apigenin
To be Published
4M5R
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BU of 4m5r by Molmil
High-resolution influenza 2009 H1N1 endonuclease bound to 4-(1H-IMIDAZOL-1-YL)PHENOL
Descriptor: 1,2-ETHANEDIOL, 4-(1H-IMIDAZOL-1-YL)PHENOL, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2013-08-08
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
1X8B
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BU of 1x8b by Molmil
Structure of human Wee1A kinase: kinase domain complexed with inhibitor PD0407824
Descriptor: 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, MAGNESIUM ION, Wee1-like protein kinase
Authors:Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
Deposit date:2004-08-17
Release date:2005-06-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and inhibition of the human cell cycle checkpoint kinase, Wee1A kinase: an atypical tyrosine kinase with a key role in CDK1 regulation
Structure, 13, 2005
5CG6
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BU of 5cg6 by Molmil
Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors:Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I.
Deposit date:2015-07-09
Release date:2015-10-14
Last modified:2025-03-12
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
3COJ
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BU of 3coj by Molmil
Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1
Descriptor: Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein
Authors:Shen, Y, Tong, L.
Deposit date:2008-03-28
Release date:2008-05-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural evidence for direct interactions between the BRCT domains of human BRCA1 and a phospho-peptide from human ACC1
Biochemistry, 47, 2008
6MA4
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BU of 6ma4 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 3a
Descriptor: 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Martin, S.E.S, Lazarus, M.B, Walker, S.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
3CRR
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BU of 3crr by Molmil
Structure of tRNA Dimethylallyltransferase: RNA Modification through a Channel
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIPHOSPHATE, ...
Authors:Huang, R.H, Xie, W, Zhou, C.
Deposit date:2008-04-07
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of tRNA Dimethylallyltransferase: RNA Modification through a Channel
J.Mol.Biol., 367, 2007
6MBC
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BU of 6mbc by Molmil
Human Bfl-1 in complex with the designed peptide dF4
Descriptor: Bcl-2-related protein A1, dF4
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
5WQ3
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BU of 5wq3 by Molmil
Crystal structure of type-II LOG from Corynebacterium glutamicum
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, ...
Authors:Seo, H, Kim, K.-J.
Deposit date:2016-11-22
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for a novel type of cytokinin-activating protein
Sci Rep, 7, 2017
4LW3
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BU of 4lw3 by Molmil
Crystal structure of the Drosophila beta1,4galactosyltransferase7 catalytic domain D211N single mutant enzyme complex with manganese and UDP-galactose
Descriptor: Beta-4-galactosyltransferase 7, GALACTOSE-URIDINE-5'-DIPHOSPHATE, MANGANESE (II) ION
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of beta-1,4-Galactosyltransferase 7 Enzyme Reveal Conformational Changes and Substrate Binding.
J.Biol.Chem., 288, 2013
1XPF
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BU of 1xpf by Molmil
HIV-1 subtype A genomic RNA Dimerization Initiation Site
Descriptor: 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', MAGNESIUM ION, SODIUM ION, ...
Authors:Ennifar, E, Dumas, P.
Deposit date:2004-10-08
Release date:2005-10-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Polymorphism of Bulged-out Residues in HIV-1 RNA DIS Kissing Complex and Structure Comparison with Solution Studies
J.Mol.Biol., 356, 2006
6MA1
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BU of 6ma1 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 4a
Descriptor: Host Cell Factor 1 peptide, N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Martin, S.E.S, Lazarus, M.B, Walker, S.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
4BDH
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BU of 4bdh by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
Descriptor: 1,2-ETHANEDIOL, 3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE, CHLORIDE ION, ...
Authors:Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
3ZQW
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BU of 3zqw by Molmil
Structure of CBM3b of major scaffoldin subunit ScaA from Acetivibrio cellulolyticus
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CELLULOSOMAL SCAFFOLDIN, ...
Authors:Yaniv, O, Halfon, Y, Lamed, R, Frolow, F.
Deposit date:2011-06-12
Release date:2012-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structure of Cbm3B of the Major Scaffoldin Subunit Scaa from Acetivibrio Cellulolyticus
Acta Crystallogr.,Sect.F, 68, 2012
4AS3
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BU of 4as3 by Molmil
Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic form
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Infantes, L, Otero, L.H, Albert, A.
Deposit date:2012-04-27
Release date:2012-08-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structural Domains of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase Cooperate in Substrate Hydrolysis: 3D Structure and Enzymatic Mechanism.
J.Mol.Biol., 423, 2012
4LP0
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BU of 4lp0 by Molmil
Crystal structure of a topoisomerase ATP inhibitor
Descriptor: 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid, Topoisomerase IV subunit B
Authors:Basarab, G.S, Manchester, J.I, Bist, S, Boriack-Sjodin, P.A, Dangel, B, Illingsworth, R, Uria-Nickelsen, M, Sherer, B.A, Sriram, S, Eakin, A.E.
Deposit date:2013-07-14
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.
J.Med.Chem., 56, 2013
6A7T
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BU of 6a7t by Molmil
Ca2+-independent C-type lectin SPL-1 from Saxidomus purpuratus
Descriptor: CALCIUM ION, N-acetylglucosamine-specific lectin
Authors:Unno, H, Hatakeyama, T.
Deposit date:2018-07-04
Release date:2019-03-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Ca2+-independent carbohydrate recognition of the C-type lectins, SPL-1 and SPL-2, from the bivalve Saxidomus purpuratus.
Protein Sci., 28, 2019
5FIP
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BU of 5fip by Molmil
Discovery and characterization of a novel thermostable and highly halotolerant GH5 cellulase from an Icelandic hot spring isolate
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, ...
Authors:Zarafeta, D, Kissas, D, Sayer, C, Gudbergsdottir, S.R, Ladoukakis, E, Isupov, M.N, Chatziioannou, A, Peng, X, Littlechild, J.A, Skretas, G, Kolisis, F.N.
Deposit date:2015-10-01
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery and Characterization of a Thermostable and Highly Halotolerant Gh5 Cellulase from an Icelandic Hot Spring Isolate.
Plos One, 11, 2016
5WA5
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BU of 5wa5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50
Descriptor: 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
Authors:Xu, X, Blacklow, S.C.
Deposit date:2017-06-24
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.172 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6N3F
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BU of 6n3f by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ...
Authors:Leach, J.R, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2018-11-15
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
2O7C
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BU of 2o7c by Molmil
Crystal structure of L-methionine-lyase from Pseudomonas
Descriptor: Methionine gamma-lyase, SULFATE ION
Authors:Misaki, S, Takimoto, A, Takakura, T, Yoshioka, T, Yamashita, M, Tamura, T, Tanaka, H, Inagaki, K.
Deposit date:2006-12-10
Release date:2007-12-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the antitumour enzyme L-methionine gamma-lyase from Pseudomonas putida at 1.8 A resolution
J.Biochem.(Tokyo), 141, 2007
2XFR
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BU of 2xfr by Molmil
Crystal structure of barley beta-amylase at atomic resolution
Descriptor: 1,2-ETHANEDIOL, BETA-AMYLASE
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-05-28
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011

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