3NEY
 
 | | Crystal structure of the kinase domain of MPP1/p55 | | Descriptor: | 55 kDa erythrocyte membrane protein, SULFATE ION, UNKNOWN ATOM OR ION | | Authors: | Shen, Y, Tong, Y, Zhong, N, Guan, X, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-06-09 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of the kinase domain of MPP1/p55
To be Published
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3O47
 | | Crystal structure of ARFGAP1-ARF1 fusion protein | | Descriptor: | ADP-ribosylation factor GTPase-activating protein 1, ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wang, H, Tong, Y, Nedyalkova, L, Tempel, W, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-26 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of ARFGAP1-ARF1 fusion protein
to be published
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3O46
 | | Crystal structure of the PDZ domain of MPP7 | | Descriptor: | MAGUK p55 subfamily member 7, UNKNOWN ATOM OR ION | | Authors: | Nedyalkova, L, Tong, Y, Tempel, W, Zhong, N, Guan, X, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-26 | | Release date: | 2010-08-04 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the PDZ domain of MPP7
TO BE PUBLISHED
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3P1J
 | | Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state | | Descriptor: | GTPase IMAP family member 2, UNKNOWN ATOM OR ION | | Authors: | Shen, L, Tempel, W, Tong, Y, Guan, X, Nedyalkova, L, Wernimont, A.K, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-30 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state
to be published
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3PFN
 | | Crystal Structure of human NAD kinase | | Descriptor: | NAD kinase, UNKNOWN ATOM OR ION | | Authors: | Wang, H, Tempel, W, Wernimont, A.K, Tong, Y, Guan, X, Shen, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-28 | | Release date: | 2010-11-10 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of human NAD kinase
to be published
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3Q3J
 | | Crystal structure of plexin A2 RBD in complex with Rnd1 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-A2, ... | | Authors: | Wang, H, Tempel, W, Tong, Y, Guan, X, Shen, L, Buren, L, Zhang, N, Wernimont, A.K, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-12-21 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.971 Å) | | Cite: | Crystal structure of plexin A2 RBD in complex with Rnd1
to be published
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3RPX
 | | Crystal structure of complement component 1, q subcomponent binding protein, C1QBP | | Descriptor: | Complement component 1 Q subcomponent-binding protein, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Tong, Y, Crombet, L, Shen, Y, Guan, X, Nedyalkova, L, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-04-27 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of complement component 1, q subcomponent binding protein, C1QBP
to be published
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7X9Q
 | | Crystal structure of human STING complexed with compound BSP16 | | Descriptor: | (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein | | Authors: | Pan, L, Guan, X, Feng, X, Li, Z, Bian, J. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents.
J.Med.Chem., 65, 2022
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7X9P
 | | Crystal structure of human STING complexed with compound BSP17 | | Descriptor: | 4-[6-methoxy-5-[3-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzoselenophen-5-yl]oxy]propoxy]-1-benzoselenophen-2-yl]-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein | | Authors: | Pan, L, Guan, X, Feng, X, Li, Z, Bian, J. | | Deposit date: | 2022-03-15 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Selenium-containing STING agonists as orally available anti tumor agents
To be published
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4PQW
 | | Crystal Structure of Phospholipase C beta 3 in Complex with PDZ1 of NHERF1 | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | | Authors: | Jiang, Y, Wang, S, Holcomb, J, Trescott, L, Guan, X, Hou, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystallographic analysis of NHERF1-PLC beta 3 interaction provides structural basis for CXCR2 signaling in pancreatic cancer.
Biochem.Biophys.Res.Commun., 446, 2014
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6IV6
 | | Cryo-EM structure of AcrVA5-acetylated MbCas12a in complex with crRNA | | Descriptor: | RNA (59-MER), nuclease | | Authors: | Dong, L, Li, N, Guan, X, Zhu, Y, Gao, N, Huang, Z. | | Deposit date: | 2018-12-02 | | Release date: | 2019-04-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | An anti-CRISPR protein disables type V Cas12a by acetylation.
Nat. Struct. Mol. Biol., 26, 2019
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6IUF
 | | Crystal structure of Anti-CRISPR protein AcrVA5 | | Descriptor: | ACETYL COENZYME *A, GLYCEROL, protein-a | | Authors: | Dong, L, Guan, X, Zhu, Y, Huang, Z. | | Deposit date: | 2018-11-28 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | An anti-CRISPR protein disables type V Cas12a by acetylation.
Nat. Struct. Mol. Biol., 26, 2019
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8CZA
 | | Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075 | | Descriptor: | 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain testis-specific protein, SODIUM ION | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2022-05-24 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
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7MR9
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7MRH
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7MRB
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7MRA
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7MRG
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7MR7
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4 | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-05-07 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
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7MR6
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-082 | | Descriptor: | Bromodomain-containing protein 4, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-05-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
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7MR5
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-052 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-05-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
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7MRD
 | | Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082 | | Descriptor: | Bromodomain testis-specific protein, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} | | Authors: | Chan, A, Schonbrunn, E. | | Deposit date: | 2021-05-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
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7MRC
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7L9M
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with bivalent inhibitor GXH-II-083 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide) | | Authors: | Karim, M.R, Schonbrunn, E. | | Deposit date: | 2021-01-04 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
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7LA9
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