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4AQW
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BU of 4aqw by Molmil
Model of human kinesin-5 motor domain (1II6, 3HQD) and mammalian tubulin heterodimer (1JFF) docked into the 9.5-angstrom cryo-EM map of microtubule-bound kinesin-5 motor domain in the rigor state.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Goulet, A, Behnke-Parks, W.M, Sindelar, C.V, Rosenfeld, S.S, Moores, C.A.
Deposit date:2012-04-19
Release date:2012-11-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9.5 Å)
Cite:The Structural Basis of Force Generation by the Mitotic Motor Kinesin-5.
J.Biol.Chem., 287, 2012
5GXQ
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BU of 5gxq by Molmil
The crystal structure of the nucleosome containing H3.6
Descriptor: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Taguchi, H, Xie, Y, Horikoshi, N, Kurumizaka, H.
Deposit date:2016-09-19
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
5X0M
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BU of 5x0m by Molmil
Structure of a eukaryotic voltage-gated sodium channel at near atomic resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein, ...
Authors:Shen, H, Zhou, Q, Pan, X, Li, Z, Wu, J, Yan, N.
Deposit date:2017-01-21
Release date:2017-03-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of a eukaryotic voltage-gated sodium channel at near-atomic resolution.
Science, 355, 2017
5H3D
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BU of 5h3d by Molmil
Helical structure of membrane tubules decorated by ACAP1 (BARPH doamin) protein by cryo-electron microscopy and MD simulation
Descriptor: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1
Authors:Chan, C, Pang, X.Y, Zhang, Y, Sun, F, Fan, J.
Deposit date:2016-10-22
Release date:2019-01-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (14 Å)
Cite:ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages.
Plos Comput.Biol., 15, 2019
3B6H
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BU of 3b6h by Molmil
Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil
Descriptor: 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ...
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-10-29
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
1KLX
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BU of 1klx by Molmil
Helicobacter pylori cysteine rich protein B (hcpB)
Descriptor: Cysteine Rich Protein B
Authors:Luethy, L, Gruetter, M.G, Mittl, P.R.E.
Deposit date:2001-12-13
Release date:2002-09-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of Helicobacter pylori cysteine-rich protein B reveals a novel fold for a penicillin-binding protein.
J.Biol.Chem., 277, 2002
5A6F
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BU of 5a6f by Molmil
Cryo-EM structure of the Slo2.2 Na-activated K channel
Descriptor: GATING RING OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, RCK2 ELABORATION OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1
Authors:Hite, R.K, Yuan, P, Li, Z, Hsuing, Y, Walz, T, MacKinnon, R.
Deposit date:2015-06-25
Release date:2015-10-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-Electron Microscopy Structure of the Slo2.2 Na1-Activated K1 Channel
Nature, 527, 2015
5AAD
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BU of 5aad by Molmil
Aurora A kinase bound to an imidazopyridine inhibitor (7a)
Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION
Authors:McIntyre, P.J, Kosmopoulou, M, Bayliss, R.
Deposit date:2015-07-24
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
4QVP
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BU of 4qvp by Molmil
yCP beta5-M45T mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-15
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QV1
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BU of 4qv1 by Molmil
yCP beta5-M45A mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-14
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
5GAP
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BU of 5gap by Molmil
Body region of the U4/U6.U5 tri-snRNP
Descriptor: 13 kDa ribonucleoprotein-associated protein, Pre-mRNA-processing factor 31, Pre-mRNA-splicing factor 6, ...
Authors:Nguyen, T.H.D, Galej, W.P, Oubridge, C, Bai, X.C, Newman, A, Scheres, S, Nagai, K.
Deposit date:2015-12-15
Release date:2016-01-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of the yeast U4/U6.U5 tri-snRNP at 3.7 angstrom resolution.
Nature, 530, 2016
4QWK
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BU of 4qwk by Molmil
yCP beta5-A49T-A50V-double mutant in complex with carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-16
Release date:2015-02-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QW1
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BU of 4qw1 by Molmil
yCP beta5-A50V mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-16
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QWX
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BU of 4qwx by Molmil
yCP in complex with the epoxyketone inhibitor ONX 0914
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-17
Release date:2015-02-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
5YKG
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BU of 5ykg by Molmil
Structure of pancreatic ATP-sensitive potassium channel bound with glibenclamide and ATPgammaS (Class2 at 4.57A)
Descriptor: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ...
Authors:Chen, L, Wu, J.X.
Deposit date:2017-10-14
Release date:2018-04-18
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.57 Å)
Cite:Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Protein Cell, 9, 2018
4AHS
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BU of 4ahs by Molmil
Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification
Descriptor: 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ...
Authors:Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J.
Deposit date:2012-02-07
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
5G06
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BU of 5g06 by Molmil
Cryo-EM structure of yeast cytoplasmic exosome
Descriptor: EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ...
Authors:Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W.
Deposit date:2016-03-17
Release date:2016-06-15
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryoem Structure of Yeast Cytoplasmic Exosome Complex.
Cell Res., 26, 2016
5FBE
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BU of 5fbe by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2
Descriptor: Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate
Authors:Ostermann, N, Zink, F.
Deposit date:2015-12-14
Release date:2016-10-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
4RUS
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BU of 4rus by Molmil
Carp Fishelectin, holo form
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L.
Deposit date:2014-11-21
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Three-dimensional structure and ligand-binding site of carp fishelectin (FEL).
Acta Crystallogr.,Sect.D, 71, 2015
5AAF
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BU of 5aaf by Molmil
Aurora A kinase bound to an imidazopyridine inhibitor (14a)
Descriptor: 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A
Authors:McIntyre, P.J, Bayliss, R.
Deposit date:2015-07-24
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
4RWK
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BU of 4rwk by Molmil
Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M) in complex with N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE (AZD4547)
Descriptor: Fibroblast growth factor receptor 1, MAGNESIUM ION, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
Authors:Sohl, C.D, Anderson, K.S.
Deposit date:2014-12-04
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.982 Å)
Cite:Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
5FPN
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BU of 5fpn by Molmil
Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (AT9084) in an alternate binding site.
Descriptor: 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, HEAT SHOCK-RELATED 70 KDA PROTEIN 2
Authors:Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-12-02
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RXX
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BU of 4rxx by Molmil
Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Shen, L, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-12-12
Release date:2015-01-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
to be published
5A6E
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BU of 5a6e by Molmil
Cryo-EM structure of the Slo2.2 Na-activated K channel
Descriptor: GATING RING OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, PORE DOMAIN OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, RCK2 ELABORATION OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, ...
Authors:Hite, R.K, Yuan, P, Li, Z, Hsuing, Y, Walz, T, MacKinnon, R.
Deposit date:2015-06-25
Release date:2015-10-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-Electron Microscopy Structure of the Slo2.2 Na1-Activated K1 Channel
Nature, 527, 2015
5XZJ
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BU of 5xzj by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, C96T/AB5
Descriptor: CHLORIDE ION, HEME C, Soluble cytochrome b562, ...
Authors:Song, W.J, Tezcan, F.A.
Deposit date:2017-07-12
Release date:2017-12-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Importance of Scaffold Flexibility/Rigidity in the Design and Directed Evolution of Artificial Metallo-beta-lactamases.
J. Am. Chem. Soc., 139, 2017

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