3T9H
 
 | | Kainate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, ZINC ION | | Authors: | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | | Deposit date: | 2011-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
J.Biol.Chem., 286, 2011
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6EBU
 | | Crystal structure of Aquifex aeolicus LpxE | | Descriptor: | LpxE, SULFATE ION, octyl beta-D-glucopyranoside | | Authors: | Wu, Q, Wang, S, Zhou, P. | | Deposit date: | 2018-08-07 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019
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8JT8
 | | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Chen, Z, Fan, L, Wang, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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5ZBS
 | | Crystal Structure of Kinesin-3 KIF13B motor Y73C mutant | | Descriptor: | Kinesin family member 13B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Ren, J.Q, Wang, S, Feng, W. | | Deposit date: | 2018-02-12 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
J. Mol. Biol., 430, 2018
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5ZBR
 | | Crystal Structure of Kinesin-3 KIF13B motor domain in AMPPNP form | | Descriptor: | Kinesin family member 13B, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J.Q, Wang, S, Feng, W. | | Deposit date: | 2018-02-12 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
J. Mol. Biol., 430, 2018
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5ZG9
 | | Crystal structure of MoSub1-ssDNA complex in phosphate buffer | | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3'), MoSub1, PHOSPHATE ION | | Authors: | Zhao, Y, Huang, J, Liu, H, Yi, L, Wang, S, Zhang, X, Liu, J. | | Deposit date: | 2018-03-08 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The effect of phosphate ion on the ssDNA binding mode of MoSub1, a Sub1/PC4 homolog from rice blast fungus.
Proteins, 87, 2019
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8JT6
 | | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | | Descriptor: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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8W88
 | | Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex | | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | | Deposit date: | 2023-09-01 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
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8W8B
 | | Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex | | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ... | | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | | Deposit date: | 2023-09-01 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
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8W87
 | | Cryo-EM structure of the METH-TAAR1 complex | | Descriptor: | (2S)-N-methyl-1-phenylpropan-2-amine, 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: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | | Deposit date: | 2023-09-01 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
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8W8A
 | | Cryo-EM structure of the RO5256390-TAAR1 complex | | Descriptor: | (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, 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: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | | Deposit date: | 2023-09-01 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
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8W89
 | | Cryo-EM structure of the PEA-bound TAAR1-Gs complex | | Descriptor: | 2-PHENYLETHYLAMINE, 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: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | | Deposit date: | 2023-09-01 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
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1X7A
 | | Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | | Descriptor: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | | Authors: | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | | Deposit date: | 2004-08-13 | | Release date: | 2005-08-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
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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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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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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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1BQJ
 | | CRYSTAL STRUCTURE OF D(ACCCT) | | Descriptor: | DNA (5'-D(*AP*CP*CP*CP*T)-3') | | Authors: | Weil, J, Min, T, Yang, C, Wang, S, Sutherland, C, Sinha, N, Kang, C.H. | | Deposit date: | 1998-08-17 | | Release date: | 1999-03-18 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Stabilization of the i-motif by intramolecular adenine-adenine-thymine base triple in the structure of d(ACCCT).
Acta Crystallogr.,Sect.D, 55, 1999
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1U7H
 | | Structure and a Proposed Mechanism for Ornithine Cyclodeaminase from Pseudomonas putida | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | | Authors: | Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E. | | Deposit date: | 2004-08-03 | | Release date: | 2004-11-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for
the u-Crystallin Family;
Biochemistry, 43, 2004
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6A50
 | | structure of benzoylformate decarboxylases in complex with cofactor TPP | | Descriptor: | MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases | | Authors: | Guo, Y, Wang, S, Nie, Y, Li, S. | | Deposit date: | 2018-06-21 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis
Nat Commun, 2019
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4JLW
 | | Crystal structure of formaldehyde dehydrogenase from Pseudomonas aeruginosa | | Descriptor: | Glutathione-independent formaldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Chen, S, Liao, Y.P, Wang, D.L, Wang, S, Ding, J.F, Wang, Y.M, Cai, L.J, Ran, X.Y, Zhu, H.X. | | Deposit date: | 2013-03-13 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of formaldehyde dehydrogenase from Pseudomonas aeruginosa: the binary complex with the cofactor NAD+.
Acta Crystallogr.,Sect.F, 69, 2013
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6JJP
 | | Crystal structure of Fab of a PD-1 monoclonal antibody MW11-h317 in complex with PD-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of MW11-h317, Programmed cell death protein 1, ... | | Authors: | Wang, M, Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M. | | Deposit date: | 2019-02-26 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of a monoclonal antibody that targets PD-1 in a manner requiring PD-1 Asn58 glycosylation.
Commun Biol, 2, 2019
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6QVJ
 | | HsCKK (human CAMSAP1) decorated 14pf taxol-GDP microtubule | | Descriptor: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | | Deposit date: | 2019-03-02 | | Release date: | 2019-11-27 | | Last modified: | 2020-09-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
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6QUS
 | | HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule | | Descriptor: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | | Deposit date: | 2019-02-28 | | Release date: | 2019-11-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
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6QVE
 | | NgCKK (Naegleria Gruberi CKK) decorated 14pf taxol-GDP microtubule | | Descriptor: | Beta1-tubulin, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | | Deposit date: | 2019-03-01 | | Release date: | 2019-11-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
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6QUY
 | | NgCKK (N.Gruberi CKK) decorated 13pf taxol-GDP microtubule | | Descriptor: | CKK domain protein, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | | Deposit date: | 2019-02-28 | | Release date: | 2019-11-27 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
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