6KYR
 
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6LH4
 | | Crystal structural of MacroD1-ADPr complex | | Descriptor: | ADP-ribose glycohydrolase MACROD1, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Yang, X, Ma, Y, Li, Y. | | Deposit date: | 2019-12-06 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
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8C3A
 | | Crystal structure of ailanthone bound to the Candida albicans 80S ribosome | | Descriptor: | 18S, 25S, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ... | | Authors: | Kolosova, O, Zgadzay, Y, Yusupov, M. | | Deposit date: | 2022-12-23 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | New crystal system to promote screening for new eukaryotic inhibitors
To Be Published
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6M03
 | | The crystal structure of COVID-19 main protease in apo form | | Descriptor: | 3C-like proteinase | | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z. | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3NOD
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, L-THIOCITRULLINE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1998-03-06 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
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4X2R
 | | Crystal structure of PriA from Actinomyces urogenitalis | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, PHOSPHATE ION | | Authors: | MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-26 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Evolution of substrate specificity in a retained enzyme driven by gene loss.
Elife, 6, 2017
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5Z1S
 | | Crystal Structure Analysis of the BRD4(1) | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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5Z1R
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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5Z1T
 | | Crystal Structure Analysis of the BRD4(1) | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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6M63
 | | Crystal structure of a cAMP sensor G-Flamp1. | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein | | Authors: | Zhou, Z, Chen, S, Wang, L, Chu, J. | | Deposit date: | 2020-03-12 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
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8JII
 | | Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex | | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-05-26 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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8JIM
 | | Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex | | Descriptor: | (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-05-26 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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8JHY
 | | Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex | | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-05-25 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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8JIL
 | | Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-05-26 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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8J2P
 | | Crystal structure of PML B-box2 | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhou, C, Zang, N, Zhang, J. | | Deposit date: | 2023-04-15 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
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8J25
 | | Crystal structure of PML B-box2 mutant | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhou, C, Zang, N, Zhang, J. | | Deposit date: | 2023-04-14 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
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1NOS
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), IMIDAZOLE COMPLEX | | Descriptor: | IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1997-09-28 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
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1NOC
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) COMPLEXED WITH TYPE I E. COLI CHLORAMPHENICOL ACETYL TRANSFERASE AND IMIDAZOLE | | Descriptor: | IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1997-09-28 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
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7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7YW4
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7YW2
 | | Crystal structure of tRNA 2'-phosphotransferase from Mus musculus | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ... | | Authors: | Yang, X.Y, Liu, X.H. | | Deposit date: | 2022-08-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
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7YW3
 | | Crystal structure of tRNA 2'-phosphotransferase from Homo sapiens | | Descriptor: | 1,2-ETHANEDIOL, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, tRNA 2'-phosphotransferase 1 | | Authors: | Yang, X.Y, Liu, X.H. | | Deposit date: | 2022-08-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
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2VIF
 | | Crystal structure of SOCS6 SH2 domain in complex with a c-KIT phosphopeptide | | Descriptor: | 1,2-ETHANEDIOL, MAST/STEM CELL GROWTH FACTOR RECEPTOR, SUPPRESSOR OF CYTOKINE SIGNALLING 6 | | Authors: | Bullock, A, Pike, A.C.W, Savitsky, P, Keates, T, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S. | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Basis for C-Kit Inhibition by the Suppressor of Cytokine Signaling 6 (Socs6) Ubiquitin Ligase.
J.Biol.Chem., 286, 2011
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