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6BZE
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BU of 6bze by Molmil
Cryo-EM structure of BCL10 CARD filament
Descriptor: B-cell lymphoma/leukemia 10
Authors:David, L, Li, Y, Ma, J, Garner, E, Zhang, X, Wu, H.
Deposit date:2017-12-23
Release date:2018-02-14
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Assembly mechanism of the CARMA1-BCL10-MALT1-TRAF6 signalosome.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4WRE
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BU of 4wre by Molmil
Crystal Structure of Surfactant Protein-A DEDN Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, CHLORIDE ION, ...
Authors:Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X.
Deposit date:2014-10-23
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
6CB8
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BU of 6cb8 by Molmil
Cryo-EM structure of the Gasdermin A3 membrane pore
Descriptor: CARDIOLIPIN, Gasdermin-A3
Authors:Ruan, J, Wu, H.
Deposit date:2018-02-02
Release date:2018-04-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the gasdermin A3 membrane pore.
Nature, 557, 2018
4WUX
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BU of 4wux by Molmil
Crystal Structure of Surfactant Protein-A DED Mutant (E171D/P175E/K203D) Complexed with Mannose
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein A, alpha-D-mannopyranose
Authors:Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X.
Deposit date:2014-11-03
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
5EAP
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BU of 5eap by Molmil
Crystal structure of human WDR5 in complex with compound 9e
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
5EAR
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BU of 5ear by Molmil
Crystal structure of human WDR5 in complex with compound 9d
Descriptor: 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
1WC4
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BU of 1wc4 by Molmil
Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP and Europium
Descriptor: ADENYLATE CYCLASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, EUROPIUM (III) ION
Authors:Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H.
Deposit date:2004-11-08
Release date:2004-12-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
1WC0
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BU of 1wc0 by Molmil
Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP
Descriptor: ADENYLATE CYCLASE, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H.
Deposit date:2004-11-05
Release date:2004-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
4QQE
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BU of 4qqe by Molmil
Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Wernimont, A, Smil, D, Getlik, M, Senisterra, G, Poda, G, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
To be Published
5Y56
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BU of 5y56 by Molmil
Fc mutant (K392D/K409D/D399K)
Descriptor: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Ye, S, Xu, T, Yu, J, Wang, X, Xu, T, Jin, Q, Duan, J, Wu, J, Wu, H.
Deposit date:2017-08-07
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:A rational approach to enhancing antibody Fc homodimer formation for robust production of antibody mixture in a single cell line
J. Biol. Chem., 292, 2017
3SKJ
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BU of 3skj by Molmil
Structural And Functional Characterization of an Agonistic Anti-Human EphA2 Monoclonal Antibody
Descriptor: Antibody, heavy chain, light chain, ...
Authors:Oganesyan, V.Y, Wu, H, Dall'Acqua, W.F.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2017-05-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional characterization of an agonistic anti-human EphA2 monoclonal antibody.
J.Mol.Biol., 413, 2011
4RWS
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BU of 4rws by Molmil
Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target)
Descriptor: C-X-C chemokine receptor type 4/Endolysin chimeric protein, Viral macrophage inflammatory protein 2
Authors:Qin, L, Kufareva, I, Holden, L, Wang, C, Zheng, Y, Wu, H, Fenalti, G, Han, G.W, Cherezov, V, Abagyan, R, Stevens, R.C, Handel, T.M, GPCR Network (GPCR)
Deposit date:2014-12-05
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine.
Science, 347, 2015
4PQG
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BU of 4pqg by Molmil
Crystal structure of the pneumococcal O-GlcNAc transferase GtfA in complex with UDP and GlcNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyltransferase Gtf1, URIDINE-5'-DIPHOSPHATE
Authors:Shi, W.W, Jiang, Y.L, Zhu, F, Yang, Y.H, Wu, H, Ren, Y.M, Chen, Y, Zhou, C.Z.
Deposit date:2014-03-03
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a Novel O-Linked N-Acetyl-d-glucosamine (O-GlcNAc) Transferase, GtfA, Reveals Insights into the Glycosylation of Pneumococcal Serine-rich Repeat Adhesins.
J.Biol.Chem., 289, 2014
3QWP
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BU of 3qwp by Molmil
Crystal structure of SET and MYND domain containing 3; Zinc finger MYND domain-containing protein 1
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ...
Authors:Dong, A, Dombrovski, L, Li, Y, Wernimont, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-02-28
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The Crystal Structure of human Histone-lysine N-methyltransferase SMYD3
To be Published
3C2S
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BU of 3c2s by Molmil
Structural Characterization of a Human Fc Fragment Engineered for Lack of Effector Functions
Descriptor: IGHM protein, ZINC ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Oganesyan, V, Wu, H, Dall'Acqua, W.F.
Deposit date:2008-01-25
Release date:2008-08-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of a human Fc fragment engineered for lack of effector functions.
Acta Crystallogr.,Sect.D, 64, 2008
3RBN
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BU of 3rbn by Molmil
Crystal structure of MutL protein homolog 1 isoform 1 [Homo sapiens]
Descriptor: DNA mismatch repair protein Mlh1
Authors:Dong, A, Dombrovsky, L, Wernimont, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-03-29
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of MutL protein homolog 1 isoform 1 [Homo sapiens]
To be Published
4QIN
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BU of 4qin by Molmil
Structure of the human smoothened receptor in complex with SAG1.5
Descriptor: 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide, Smoothened homolog/Soluble cytochrome b562 chimeric protein
Authors:Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QL1
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BU of 4ql1 by Molmil
Crystal structure of human WDR5 in complex with compound OICR-9429
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-10
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
4QIM
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BU of 4qim by Molmil
Structure of the human smoothened receptor in complex with ANTA XV
Descriptor: 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, Smoothened homolog/Soluble cytochrome b562 chimeric protein, ZINC ION
Authors:Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
5EAL
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BU of 5eal by Molmil
Crystal structure of human WDR5 in complex with compound 9h
Descriptor: 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human WDR5 in complex with compound 9h
to be published
6IRO
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BU of 6iro by Molmil
the crosslinked complex of ISWI-nucleosome in the ADP-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ...
Authors:Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
Deposit date:2018-11-13
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat. Struct. Mol. Biol., 26, 2019
5EAM
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BU of 5eam by Molmil
Crystal structure of human WDR5 in complex with compound 9o
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
5V7Z
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BU of 5v7z by Molmil
SSNMR Structure of the Human RIP1/RIP3 Necrosome
Descriptor: PRO-LEU-VAL-ASN-ILE-TYR-ASN-CYS-SER-GLY-VAL-GLN-VAL-GLY-ASP, THR-ILE-TYR-ASN-SER-THR-GLY-ILE-GLN-ILE-GLY-ALA-TYR-ASN-TYR-MET-GLU-ILE
Authors:Mompean, M, Li, W, Li, J, Laage, S, Siemer, A.B, Wu, H, McDermott, A.E.
Deposit date:2017-03-21
Release date:2018-03-28
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:The Structure of the Necrosome RIPK1-RIPK3 Core, a Human Hetero-Amyloid Signaling Complex.
Cell, 173, 2018
5FFS
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BU of 5ffs by Molmil
Crystal Structure of Surfactant Protein-A Y164A Mutant
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein A
Authors:Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X.
Deposit date:2015-12-18
Release date:2016-07-06
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016
7K5I
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BU of 7k5i by Molmil
SARS-COV-2 nsp1 in complex with human 40S ribosome
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Wang, L, Shi, M, Wu, H.
Deposit date:2020-09-16
Release date:2020-10-14
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:SARS-CoV-2 Nsp1 suppresses host but not viral translation through a bipartite mechanism.
Biorxiv, 2020

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