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5Y0F
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BU of 5y0f by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y12
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BU of 5y12 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-methoxynaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
3L2A
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BU of 3l2a by Molmil
Crystal structure of Reston Ebola VP35 interferon inhibitory domain
Descriptor: ACETIC ACID, GLYCEROL, Polymerase cofactor VP35
Authors:Leung, D.W, Farahbakhsh, M, Borek, D.M, Prins, K.C, Basler, C.F, Amarasinghe, G.K.
Deposit date:2009-12-14
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural and Functional Characterization of Reston Ebola Virus VP35 Interferon Inhibitory Domain.
J.Mol.Biol., 399, 2010
3RFZ
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BU of 3rfz by Molmil
Crystal structure of the FimD usher bound to its cognate FimC:FimH substrate
Descriptor: Chaperone protein fimC, Outer membrane usher protein, type 1 fimbrial synthesis, ...
Authors:Phan, G, Remaut, H, Lebedev, A, Geibel, S, Waksman, G.
Deposit date:2011-04-07
Release date:2011-06-01
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the FimD usher bound to its cognate FimC-FimH substrate.
Nature, 474, 2011
3MFE
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BU of 3mfe by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant with H0 movement
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Li, D, Li, H.
Deposit date:2010-04-02
Release date:2010-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 2010
3MKA
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BU of 3mka by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome with propetide and an T1A mutation at beta-subunit
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Li, D, Li, H.
Deposit date:2010-04-14
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 29, 2010
3MI0
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BU of 3mi0 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome at 2.2 A
Descriptor: (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, DIMETHYLFORMAMIDE, Proteasome subunit alpha, ...
Authors:Li, D, Li, H.
Deposit date:2010-04-09
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 2010
3MGM
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BU of 3mgm by Molmil
Crystal structure of human NUDT16
Descriptor: U8 snoRNA-decapping enzyme
Authors:Yan, J, Lu, G, Zhang, J, Qi, J, Li, Z, Gao, F.
Deposit date:2010-04-07
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure and the template mRNA decapping activity of human NUDT16
To be Published
4YQH
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BU of 4yqh by Molmil
2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A
Descriptor: 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ...
Authors:Burdi, D, Herman, L, Wang, T.
Deposit date:2015-03-13
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.308 Å)
Cite:Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
4YS7
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BU of 4ys7 by Molmil
Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A
Descriptor: 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Burdi, D.F, Herman, L, Wang, T.
Deposit date:2015-03-16
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
7CG7
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BU of 7cg7 by Molmil
Cryo-EM structure of the flagellar MS ring with C34 symmetry from Salmonella
Descriptor: Flagellar M-ring protein
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CBM
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BU of 7cbm by Molmil
Cryo-EM structure of the flagellar distal rod with partial hook from Salmonella
Descriptor: Flagellar basal-body rod protein FlgF, Flagellar basal-body rod protein FlgG, Flagellar hook protein FlgE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-12
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CGO
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BU of 7cgo by Molmil
Cryo-EM structure of the flagellar motor-hook complex from Salmonella
Descriptor: Flagellar L-ring protein, Flagellar M-ring protein, Flagellar MS ring L1, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-07-01
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CG4
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BU of 7cg4 by Molmil
Cryo-EM structure of the flagellar export apparatus with FliE from Salmonella
Descriptor: Flagellar biosynthetic protein FliP, Flagellar hook-basal body complex protein FliE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CBL
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BU of 7cbl by Molmil
Cryo-EM structure of the flagellar LP ring from Salmonella
Descriptor: Flagellar L-ring protein, Flagellar P-ring protein, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-12
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CGB
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BU of 7cgb by Molmil
Cryo-EM structure of the flagellar hook from Salmonella
Descriptor: Flagellar hook protein FlgE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-07-01
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CG0
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BU of 7cg0 by Molmil
Cryo-EM structure of the flagellar proximal rod with FliF peptides from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
6KVA
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BU of 6kva by Molmil
Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope
Descriptor: 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ...
Authors:Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
Deposit date:2019-09-03
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
7E80
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BU of 7e80 by Molmil
Cryo-EM structure of the flagellar rod with hook and export apparatus from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7E82
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BU of 7e82 by Molmil
Cryo-EM structure of the flagellar rod with partial hook from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7E81
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BU of 7e81 by Molmil
Cryo-EM structure of the flagellar MS ring with FlgB-Dc loop and FliE-helix 1 from Salmonella
Descriptor: Flagellar M-ring protein, FlgB-Dc loop, FliE helix 1
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
6KVF
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BU of 6kvf by Molmil
Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope
Descriptor: Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain
Authors:Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
3GBI
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BU of 3gbi by Molmil
The Rational Design and Structural Analysis of a Self-Assembled Three-Dimensional DNA Crystal
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
Authors:Birktoft, J.J, Zheng, J, Seeman, N.C.
Deposit date:2009-02-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.018 Å)
Cite:From molecular to macroscopic via the rational design of a self-assembled 3D DNA crystal.
Nature, 461, 2009
3B92
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BU of 3b92 by Molmil
Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones
Descriptor: 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol, ADAM 17, ZINC ION
Authors:Wei, Y.
Deposit date:2007-11-02
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones.
Bioorg.Med.Chem.Lett., 18, 2008
4G6F
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BU of 4g6f by Molmil
Crystal Structure of 10E8 Fab in Complex with an HIV-1 gp41 Peptide
Descriptor: 10E8 Heavy Chain, 10E8 Light Chain, gp41 MPER Peptide
Authors:Ofek, G, Huang, J, Connors, M, Kwong, P.D.
Deposit date:2012-07-19
Release date:2012-09-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Broad and potent neutralization of HIV-1 by a gp41-specific human antibody.
Nature, 491, 2012

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