8JG9
 
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7C8B
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK | | Descriptor: | 3C-like proteinase, CHLORIDE ION, Z-VAD(OMe)-FMK | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | | Deposit date: | 2020-05-29 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK
To Be Published
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5Z10
 | | Structure of the mechanosensitive Piezo1 channel | | Descriptor: | Piezo-type mechanosensitive ion channel component 1 | | Authors: | Zhao, Q, Zhou, H, Chi, S, Wang, Y, Wang, J, Geng, J, Wu, K, Liu, W, Zhang, T, Dong, M.-Q, Wang, J, Li, X, Xiao, B. | | Deposit date: | 2017-12-22 | | Release date: | 2018-01-31 | | Last modified: | 2020-01-29 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | Structure and mechanogating mechanism of the Piezo1 channel.
Nature, 554, 2018
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6K6I
 | | The crystal structure of light-driven cyanobacterial chloride importer from Mastigocladopsis repens | | Descriptor: | CHLORIDE ION, Cyanobacterial chloride importer, OLEIC ACID, ... | | Authors: | Yun, J.H, Park, J.H, Jin, Z, Ohki, M, Wang, Y, Lupala, C.S, Kim, M, Liu, H, Park, S.Y, Lee, W. | | Deposit date: | 2019-06-03 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of light-driven cyanobacterial chloride importer from Mastigocladopsis repens
To Be Published
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2AYR
 | | A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats | | Descriptor: | 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL, Estrogen receptor | | Authors: | Hummel, C.W, Geiser, A.G, Bryant, H.U, Cohen, I.R, Dally, R.D, Fong, K.C, Frank, S.A, Hinklin, R, Jones, S.A, Lewis, G, McCann, D.J, Shepherd, T.A, Tian, H, Rudman, D.G, Wallace, O.B, Wang, Y, Dodge, J.A. | | Deposit date: | 2005-09-07 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats
J.Med.Chem., 48, 2005
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6KPF
 | | Cryo-EM structure of a class A GPCR with G protein complex | | Descriptor: | 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Shen, L, Wang, Y.X, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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6KPG
 | | Cryo-EM structure of CB1-G protein complex | | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hua, T, Li, X.T, Wu, L.J, Makriyannis, A, Wang, Y.X, Shen, L, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2020-03-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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3I2E
 | | Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. | | Deposit date: | 2009-06-29 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
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3B96
 | | Structural Basis for Substrate Fatty-Acyl Chain Specificity: Crystal Structure of Human Very-Long-Chain Acyl-CoA Dehydrogenase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, TETRADECANOYL-COA, Very long-chain specific acyl-CoA dehydrogenase | | Authors: | McAndrew, R.P, Wang, Y, Mohsen, A.W, He, M, Vockley, J, Kim, J.J. | | Deposit date: | 2007-11-02 | | Release date: | 2008-02-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural basis for substrate fatty acyl chain specificity: crystal structure of human very-long-chain acyl-CoA dehydrogenase.
J.Biol.Chem., 283, 2008
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1QJL
 | | METALLOTHIONEIN MTA FROM SEA URCHIN (BETA DOMAIN) | | Descriptor: | CADMIUM ION, METALLOTHIONEIN | | Authors: | Riek, R, Precheur, B, Wang, Y, Mackay, E.A, Wider, G, Guntert, P, Liu, A, Kaegi, J.H.R, Wuthrich, K. | | Deposit date: | 1999-06-24 | | Release date: | 1999-08-31 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the sea urchin (Strongylocentrotus purpuratus) metallothionein MTA.
J. Mol. Biol., 291, 1999
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1QJK
 | | Metallothionein MTA from sea urchin (alpha domain) | | Descriptor: | CADMIUM ION, METALLOTHIONEIN | | Authors: | Riek, R, Precheur, B, Wang, Y, Mackay, E.A, Wider, G, Guntert, P, Liu, A, Kaegi, J.H.R, Wuthrich, K. | | Deposit date: | 1999-06-24 | | Release date: | 1999-08-31 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the sea urchin (Strongylocentrotus purpuratus) metallothionein MTA.
J. Mol. Biol., 291, 1999
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1RE5
 | | Crystal structure of 3-carboxy-cis,cis-muconate lactonizing enzyme from Pseudomonas putida | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-carboxy-cis,cis-muconate cycloisomerase, CITRIC ACID | | Authors: | Yang, J, Wang, Y, Woolridge, E.M, Petsko, G.A, Kozarich, J.W, Ringe, D. | | Deposit date: | 2003-11-06 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of 3-Carboxy-cis,cis-muconate Lactonizing Enzyme from Pseudomonas putida, a Fumarase Class II Type Cycloisomerase: Enzyme Evolution in Parallel Pathways.
Biochemistry, 43, 2004
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6AVS
 | | Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA) | | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION | | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | | Deposit date: | 2017-09-04 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
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1ONB
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7EBD
 | | Bacterial STING in complex with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETATE ION, TIR-like domain-containing protein | | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-15 | | Last modified: | 2022-01-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure and functional implication of bacterial STING.
Nat Commun, 13, 2022
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3I4A
 | | Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine | | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D. | | Deposit date: | 2009-07-01 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
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3VF7
 | | Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
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7D4O
 | | cyclic trinucleotide synthase CdnD in complex with ATP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase, ... | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-24 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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6LOM
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3VFA
 | | Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, SODIUM ION, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
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5GQ9
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3NDP
 | | Crystal structure of human AK4(L171P) | | Descriptor: | Adenylate kinase isoenzyme 4, SULFATE ION | | Authors: | Liu, R, Wang, Y, Wei, Z, Gong, W. | | Deposit date: | 2010-06-07 | | Release date: | 2010-06-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human adenylate kinase 4 (L171P) suggests the role of hinge region in protein domain motion
Biochem.Biophys.Res.Commun., 379, 2009
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5H01
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8PXL
 | | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ... | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXK
 | | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 5.76 A | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.77 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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