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7O6R
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BU of 7o6r by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with 1H-Indazole
分子名称: 1H-indazole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-12
公開日2022-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
2P9N
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BU of 2p9n by Molmil
Crystal Structure of bovine Arp2/3 complex co-crystallized with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-like protein 2, Actin-like protein 3, ...
著者Nolen, B.J, Pollard, T.D.
登録日2007-03-26
公開日2007-05-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Insights into the Influence of Nucleotides on Actin Family Proteins from Seven Structures of Arp2/3 Complex.
Mol.Cell, 26, 2007
7ODI
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BU of 7odi by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with methanesulfonamide
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7OIM
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BU of 7oim by Molmil
Mouse RNF213, with mixed nucleotides bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase RNF213, ...
著者Grabarczyk, D, Ahel, J, Clausen, T.
登録日2021-05-11
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献E3 ubiquitin ligase RNF213 employs a non-canonical zinc finger active site and is allosterically regulated by ATP
To Be Published
7ODB
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BU of 7odb by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with triazine-derivative
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one, GLYCEROL, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7OIK
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BU of 7oik by Molmil
Mouse RNF213:UBE2L3 transthiolation intermediate, chemically stabilized
分子名称: ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase RNF213, MAGNESIUM ION, ...
著者Grabarczyk, D, Ahel, J, Clausen, T.
登録日2021-05-11
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献E3 ubiquitin ligase RNF213 employs a non-canonical zinc finger active site and is allosterically regulated by ATP
To Be Published
7ODD
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BU of 7odd by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with tricine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Zehe, M, Grimm, C, Sotriffer, C.
登録日2021-04-29
公開日2022-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
2OVJ
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BU of 2ovj by Molmil
The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Rac GTPase-activating protein 1
著者Shrestha, L, Papagrigoriou, E, Soundararajan, M, Elkins, J, Johansson, C, von Delft, F, Pike, A.C.W, Burgess, N, Turnbull, A, Debreczeni, J, Gorrec, F, Umeano, C, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2007-02-14
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
To be Published
3E0C
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BU of 3e0c by Molmil
Crystal Structure of DNA Damage-Binding protein 1(DDB1)
分子名称: DNA damage-binding protein 1
著者Amaya, M.F, Xu, L, Hao, H, Bountra, C, Wickstroem, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2008-07-31
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
2P4N
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BU of 2p4n by Molmil
Human Monomeric Kinesin (1BG2) and Bovine Tubulin (1JFF) Docked into the 9-Angstrom Cryo-EM Map of Nucleotide-Free Kinesin Complexed to the Microtubule
分子名称: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Sindelar, C.V, Downing, K.H.
登録日2007-03-12
公開日2008-07-08
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献The beginning of kinesin's force-generating cycle visualized at 9-A resolution.
J.Cell Biol., 177, 2007
7OAT
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BU of 7oat by Molmil
Structural basis for targeted p97 remodelling by ASPL as prerequisite for p97 trimethylation by METTL21D
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Petrovic, S, Heinemann, U, Roske, Y.
登録日2021-04-20
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D.
Proc.Natl.Acad.Sci.USA, 120, 2023
2P9P
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BU of 2p9p by Molmil
Crystal Structure of bovine Arp2/3 complex co-crystallized with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-like protein 2, Actin-like protein 3, ...
著者Nolen, B.J, Pollard, T.D.
登録日2007-03-26
公開日2007-05-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into the Influence of Nucleotides on Actin Family Proteins from Seven Structures of Arp2/3 Complex.
Mol.Cell, 26, 2007
2OO1
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BU of 2oo1 by Molmil
Crystal structure of the Bromo domain 2 of human Bromodomain containing protein 3 (BRD3)
分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Bromodomain-containing protein 3, ...
著者Filippakopoulos, P, Bullock, A, Papagrigoriou, E, Keates, T, Cooper, C, Smee, C, Ugochukwu, E, Debreczeni, J, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2007-01-25
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2OT1
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BU of 2ot1 by Molmil
Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with naphthol AS-E phosphate, a competitive inhibitor
分子名称: Fructose-bisphosphate aldolase A, N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE
著者St-Jean, M, Izard, T, Sygusch, J.
登録日2007-02-07
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A hydrophobic pocket in the active site of glycolytic aldolase mediates interactions with wiskott-Aldrich syndrome protein.
J.Biol.Chem., 282, 2007
3EBU
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BU of 3ebu by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-08-28
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
4EIN
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BU of 4ein by Molmil
Crystal structure of mouse thymidylate synthase in binary complex with a substrate analogue and strong inhibitor, N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate
分子名称: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, Thymidylate synthase
著者Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Kierdaszuk, B, Rode, W.
登録日2012-04-05
公開日2013-04-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
PTERIDINES, 2013
2P6N
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BU of 2p6n by Molmil
Human DEAD-box RNA helicase DDX41, helicase domain
分子名称: ATP-dependent RNA helicase DDX41
著者Karlberg, T, Ogg, D, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-03-19
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
2P9I
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BU of 2p9i by Molmil
Crystal Structure of bovine Arp2/3 Complex co-crystallized with ADP and crosslinked with gluteraldehyde
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-like protein 2, Actin-like protein 3, ...
著者Nolen, B.J, Pollard, T.D.
登録日2007-03-26
公開日2007-05-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Insights into the Influence of Nucleotides on Actin Family Proteins from Seven Structures of Arp2/3 Complex.
Mol.Cell, 26, 2007
4BZC
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BU of 4bzc by Molmil
Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core
分子名称: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ...
著者Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
登録日2013-07-25
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
4BZB
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BU of 4bzb by Molmil
Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION
著者Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
登録日2013-07-25
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
2P9K
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BU of 2p9k by Molmil
Crystal structure of bovine Arp2/3 complex co-crystallized with ATP and crosslinked with glutaraldehyde
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein 2, Actin-like protein 3, ...
著者Nolen, B.J, Pollard, T.D.
登録日2007-03-26
公開日2007-05-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Insights into the Influence of Nucleotides on Actin Family Proteins from Seven Structures of Arp2/3 Complex.
Mol.Cell, 26, 2007
7OBQ
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BU of 7obq by Molmil
SRP-SR at the distal site conformation
分子名称: EM14S01-3B_G0054400.mRNA.1.CDS.1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Jomaa, A, Ban, N.
登録日2021-04-23
公開日2021-07-21
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular mechanism of cargo recognition and handover by the mammalian signal recognition particle.
Cell Rep, 36, 2021
4BW1
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The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
分子名称: 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
登録日2013-06-29
公開日2013-09-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4BW3
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The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
分子名称: 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
登録日2013-06-29
公開日2013-09-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4C67
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Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains
分子名称: 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Mirguet, O.
登録日2013-09-17
公開日2013-10-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013

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