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4YAX
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Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g)
分子名称: GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
1RWK
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BU of 1rwk by Molmil
Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
分子名称: 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Lam, J.W, Fahr, B.T, O'Brien, T.
登録日2003-12-16
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
3KYD
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BU of 3kyd by Molmil
Human SUMO E1~SUMO1-AMP tetrahedral intermediate mimic
分子名称: 1,2-ETHANEDIOL, 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine, SUMO-activating enzyme subunit 1, ...
著者Lima, C.D.
登録日2009-12-05
公開日2010-02-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Active site remodelling accompanies thioester bond formation in the SUMO E1.
Nature, 463, 2010
5JCG
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BU of 5jcg by Molmil
Structure of Human Peroxiredoxin 3 as three stacked rings
分子名称: Thioredoxin-dependent peroxide reductase, mitochondrial
著者Yewdall, N.A, Gerrard, J.A, Goldstone, D.C.
登録日2016-04-15
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Human Peroxiredoxin 3 Suggest Self-Chaperoning Assembly that Maintains Catalytic State.
Structure, 24, 2016
5JD7
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BU of 5jd7 by Molmil
PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP
分子名称: 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one, cGMP-dependent protein kinase 1
著者Campbell, J.C, Sankaran, B, Kim, C.W.
登録日2016-04-15
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
3L1Z
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BU of 3l1z by Molmil
Crystal structure of the U-BOX domain of human E4B ubiquitin ligase in complex with UBCH5C E2 ubiquitin conjugating enzyme
分子名称: Ubiquitin conjugation factor E4 B, Ubiquitin-conjugating enzyme E2 D3
著者Benirschke, R, Thompson, J.R, Mer, G.
登録日2009-12-14
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4.
Structure, 18, 2010
5J2C
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BU of 5j2c by Molmil
Ternary complex crystal structure of DNA polymerase Beta with C:A mismatch at the primer terminus
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2016-03-29
公開日2016-10-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
1RSO
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BU of 1rso by Molmil
Hetero-tetrameric L27 (Lin-2, Lin-7) domain complexes as organization platforms of supra-molecular assemblies
分子名称: Peripheral plasma membrane protein CASK, Presynaptic protein SAP97
著者Feng, W, Long, J.-F, Fan, J.-S, Suetake, T, Zhang, M.
登録日2003-12-09
公開日2004-05-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The tetrameric L27 domain complex as an organization platform for supramolecular assemblies
NAT.STRUCT.MOL.BIOL., 11, 2004
5J2J
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Ternary complex crystal structure of DNA polymerase Beta with T:G mismatch at the primer terminus
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2016-03-29
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
4WWQ
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BU of 4wwq by Molmil
Apo structure of the Grb7 SH2 domain
分子名称: Growth factor receptor-bound protein 7, MALONIC ACID
著者Watson, G.M, Ambaye, N.D, Wilce, M.C, Wilce, J.A.
登録日2014-11-12
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
J.Med.Chem., 58, 2015
4WWW
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BU of 4www by Molmil
Crystal structure of the E. coli ribosome bound to CEM-101
分子名称: (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S rRNA, 23S rRNA, ...
著者Dunkle, J.A, Zhang, W, Cate, J.H.D, Mankin, A.S.
登録日2014-11-12
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Binding and action of CEM-101, a new fluoroketolide antibiotic that inhibits protein synthesis.
Antimicrob. Agents Chemother., 54, 2010
1R79
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BU of 1r79 by Molmil
Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta
分子名称: Diacylglycerol kinase, delta, ZINC ION
著者Miyamoto, K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-10-21
公開日2004-04-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta
To be Published
4X6S
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BU of 4x6s by Molmil
Grb7 SH2 domain with phosphotyrosine mimetic inhibitor peptide
分子名称: Growth factor receptor-bound protein 7, Phosphotyrosine mimetic inhibitor peptide G7-TEM1
著者Watson, G.M, Panjikar, S, Wilce, M.C, Wilce, J.A.
登録日2014-12-09
公開日2015-09-23
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
J.Med.Chem., 58, 2015
3IVK
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BU of 3ivk by Molmil
Crystal Structure of the Catalytic Core of an RNA Polymerase Ribozyme Complexed with an Antigen Binding Antibody Fragment
分子名称: CADMIUM ION, CHLORIDE ION, Fab heavy chain, ...
著者Koldobskaya, Y, Duguid, E.M, Shechner, D.M, Koide, S, Kossiakoff, A.A, Bartel, D.P, Piccirilli, J.A.
登録日2009-09-01
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the catalytic core of an RNA-polymerase ribozyme.
Science, 326, 2009
1ANG
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BU of 1ang by Molmil
CRYSTAL STRUCTURE OF HUMAN ANGIOGENIN REVEALS THE STRUCTURAL BASIS FOR ITS FUNCTIONAL DIVERGENCE FROM RIBONUCLEASE
分子名称: ANGIOGENIN
著者Acharya, K.R, Allen, S, Shapiro, R, Riordan, J.F, Vallee, B.L.
登録日1994-01-18
公開日1995-04-20
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human angiogenin reveals the structural basis for its functional divergence from ribonuclease.
Proc.Natl.Acad.Sci.USA, 91, 1994
1R4N
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BU of 1r4n by Molmil
APPBP1-UBA3-NEDD8, an E1-ubiquitin-like protein complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like protein NEDD8, ZINC ION, ...
著者Walden, H, Podgorski, M.S, Holton, J.M, Schulman, B.A.
登録日2003-10-07
公開日2003-12-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The structure of the APPBP1-UBA3-NEDD8-ATP complex reveals the basis for selective ubiquitin-like protein activation by an E1.
Mol.Cell, 12, 2003
4X63
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Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH
分子名称: Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, Protein arginine N-methyltransferase 5, ...
著者Boriack-Sjodin, P.A.
登録日2014-12-06
公開日2015-04-22
最終更新日2015-05-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
5V71
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KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
分子名称: 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Westover, K, Lu, J.
登録日2017-03-17
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.228 Å)
主引用文献KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Structure, 25, 2017
4X7J
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Co-crystal Structure of PERK with 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide inhibitor
分子名称: 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
5JLE
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BU of 5jle by Molmil
Crystal structure of SETD2 bound to SAH
分子名称: Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Li, H, Yang, S, Zheng, X.
登録日2016-04-27
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase
Genes Dev., 30, 2016
3IWW
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BU of 3iww by Molmil
Crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DBIBzL, a urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Barinka, C, Lubkowski, J.
登録日2009-09-03
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bioisosterism of urea-based GCPII inhibitors: Synthesis and structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 20, 2010
1A6Q
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CRYSTAL STRUCTURE OF THE PROTEIN SERINE/THREONINE PHOSPHATASE 2C AT 2 A RESOLUTION
分子名称: MANGANESE (II) ION, PHOSPHATASE 2C, PHOSPHATE ION
著者Das, A.K, Helps, N.R, Cohen, P.T.W, Barford, D.
登録日1998-02-27
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the protein serine/threonine phosphatase 2C at 2.0 A resolution.
EMBO J., 15, 1996
5UQX
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USP7 in complex with GNE6776 (6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide)
分子名称: 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide, Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2017-02-08
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献USP7 small-molecule inhibitors interfere with ubiquitin binding.
Nature, 550, 2017
5SZI
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Structure of human Rab8a in complex with the bMERB domain of Mical-cL
分子名称: MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M.
登録日2016-08-14
公開日2016-08-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
4WO5
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Crystal structure of a BRAF kinase domain monomer
分子名称: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Critton, D.A.
登録日2014-10-15
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Crystal structure of a BRAF kinase domain monomer explains basis for allosteric regulation.
Nat.Struct.Mol.Biol., 22, 2015

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