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5BQF
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BU of 5bqf by Molmil
Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L(+)-tartaric acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Langner, K.M, Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Stead, M, Hillerich, B.S, Chowdhury, S, Hammonds, J, Zimmerman, M.D, Al Obaidi, N, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-05-29
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L-tartaric acid
to be published
4LIF
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BU of 4lif by Molmil
Crystal structure of the JCV large T-antigen origin binding domain
Descriptor: Large T antigen, SULFATE ION
Authors:Meinke, G, Bohm, A, Bullock, P.
Deposit date:2013-07-02
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into the Initiation of JC Virus DNA Replication Derived from the Crystal Structure of the T-Antigen Origin Binding Domain.
Plos Pathog., 10, 2014
4E91
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BU of 4e91 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3
Descriptor: (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein, ...
Authors:Lemke, C.T.
Deposit date:2012-03-20
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
J.Virol., 86, 2012
4E92
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BU of 4e92 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4
Descriptor: 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein
Authors:Lemke, C.T.
Deposit date:2012-03-20
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
J.Virol., 86, 2012
4C3F
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BU of 4c3f by Molmil
Structure of Lck in complex with a compound discovered by Virtual Fragment Linking
Descriptor: N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine, TYROSINE-PROTEIN KINASE LCK
Authors:Cowan-Jacob, S.W, Rummel, G, Stark, W.
Deposit date:2013-08-23
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
J. Med. Chem., 56, 2013
4LMD
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BU of 4lmd by Molmil
Crystal structure of the JCV large t-antigen origin binding domain
Descriptor: CITRATE ANION, GLYCEROL, Large T antigen
Authors:Meinke, G, Bohm, A, Bullock, P.
Deposit date:2013-07-10
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into the Initiation of JC Virus DNA Replication Derived from the Crystal Structure of the T-Antigen Origin Binding Domain.
Plos Pathog., 10, 2014
6XR0
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BU of 6xr0 by Molmil
Crystal Structure of Human Melanotransferrin in complex with SC57.32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, ...
Authors:Hayashi, K, Longenecker, K.L, Vivona, S.
Deposit date:2020-07-10
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Complex of human Melanotransferrin and SC57.32 Fab fragment reveals novel interdomain arrangement with ferric N-lobe and open C-lobe.
Sci Rep, 11, 2021
7Z0O
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BU of 7z0o by Molmil
Structure of transcription factor UAF in complex with TBP and 35S rRNA promoter DNA
Descriptor: Histone H3, Histone H4, Non-template DNA, ...
Authors:Baudin, F, Murciano, B, Fung, H.K.H, Fromm, S.A, Mueller, C.W.
Deposit date:2022-02-23
Release date:2022-04-27
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of RNA polymerase I selection by transcription factor UAF.
Sci Adv, 8, 2022
3TEA
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BU of 3tea by Molmil
Crystal structure of Arthrobacter sp. strain su 4-hydroxybenzoyl CoA thioesterase double mutant Q58E/E73A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-08-12
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
7TQX
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BU of 7tqx by Molmil
CaKip3[2-482] - AMP-PNP in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H.
Deposit date:2022-01-27
Release date:2022-07-20
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
7TQY
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BU of 7tqy by Molmil
CaKip3[2-482] - ADP-AlFx in complex with a microtubule
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H.
Deposit date:2022-01-27
Release date:2022-07-20
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
7TR0
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BU of 7tr0 by Molmil
CaKip3[2-436] - AMP-PNP in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H.
Deposit date:2022-01-27
Release date:2022-07-20
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
8P2T
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BU of 8p2t by Molmil
Bovine naive ultralong antibody AbD08* collected at 100K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Antibody D08* heavy chain, Antibody D08* light chain, ...
Authors:Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J.
Deposit date:2023-05-16
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2024
6Z0O
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BU of 6z0o by Molmil
Structure of Affimer-NP bound to Crimean-Congo Haemorrhagic Fever Virus Nucleocapsid Protein
Descriptor: Affimer-NP, Nucleocapsid
Authors:Alvarez-Rodriguez, B, Tiede, C, Trinh, C, Tomlinson, D, Edwards, T.A, Barr, J.N.
Deposit date:2020-05-10
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5974 Å)
Cite:Characterization and applications of a Crimean-Congo hemorrhagic fever virus nucleoprotein-specific Affimer: Inhibitory effects in viral replication and development of colorimetric diagnostic tests.
Plos Negl Trop Dis, 14, 2020
3R35
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BU of 3r35 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R32
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BU of 3r32 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3A
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BU of 3r3a by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant Q58A complexed with 4-hydroxybenzoic acid and CoA
Descriptor: 4-hydroxybenzoyl-CoA thioesterase, COENZYME A, P-HYDROXYBENZOIC ACID
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3C
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BU of 3r3c by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant H64A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R37
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BU of 3r37 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3D
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BU of 3r3d by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R36
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BU of 3r36 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxybenzoic acid
Descriptor: 4-hydroxybenzoyl-CoA thioesterase, P-HYDROXYBENZOIC ACID
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3B
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BU of 3r3b by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant Q58A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R34
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BU of 3r34 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with CoA
Descriptor: 1,2-ETHANEDIOL, 4-hydroxybenzoyl-CoA thioesterase, COENZYME A
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3F
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BU of 3r3f by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
4AG8
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BU of 4ag8 by Molmil
CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl-vinyl)-1H- indazol-6-ylsulfanyl)-benzamide)
Descriptor: AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
Authors:McTigue, M, Wickersham, J, Pinko, C, Kania, R.S, Bender, S.
Deposit date:2012-01-24
Release date:2012-09-26
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012

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