7EOQ
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7EOU
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![BU of 7eou by Molmil](/molmil-images/mine/7eou) | Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901/9-AA bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 9-AMINOACRIDINE, ... | Authors: | Wang, H, Zhu, S. | Deposit date: | 2021-04-22 | Release date: | 2021-06-30 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors. Neuron, 109, 2021
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7EOS
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7EOR
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![BU of 7eor by Molmil](/molmil-images/mine/7eor) | Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901 bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, Glutamate receptor ionotropic, ... | Authors: | Wang, H, Zhu, S. | Deposit date: | 2021-04-22 | Release date: | 2021-06-30 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors. Neuron, 109, 2021
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7B8V
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7DE7
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![BU of 7de7 by Molmil](/molmil-images/mine/7de7) | Crystal structure of PDZD7 HHD domain | Descriptor: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, PDZ domain-containing protein 7 | Authors: | Wang, H, Lin, L, Lu, Q. | Deposit date: | 2020-11-02 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure and Membrane Targeting of the PDZD7 Harmonin Homology Domain (HHD) Associated With Hearing Loss. Front Cell Dev Biol, 9, 2021
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8H7N
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![BU of 8h7n by Molmil](/molmil-images/mine/8h7n) | Structure of nanobody 11A in complex with triazophos | Descriptor: | 1,2-ETHANEDIOL, Nanobody 11A, SODIUM ION, ... | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | Deposit date: | 2022-10-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of nanobody 11A in complex with triazophos To Be Published
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8H7M
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![BU of 8h7m by Molmil](/molmil-images/mine/8h7m) | Structure of nanobody 11A in complex with parathion | Descriptor: | Nanobody 11A, parathion | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | Deposit date: | 2022-10-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of nanobody 11A in complex with parathion To Be Published
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8H7I
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![BU of 8h7i by Molmil](/molmil-images/mine/8h7i) | Structure of nanobody 11A in complex with quinalphos | Descriptor: | Nanobody 11A, quinalphos | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | Deposit date: | 2022-10-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of nanobody 11A in complex with quinalphos To Be Published
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8H7R
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![BU of 8h7r by Molmil](/molmil-images/mine/8h7r) | Structure of nanobody 11A in complex with coumaphos | Descriptor: | Nanobody 11A, coumaphos | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | Deposit date: | 2022-10-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of nanobody 11A in complex with coumaphos To Be Published
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8IRW
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5KQA
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![BU of 5kqa by Molmil](/molmil-images/mine/5kqa) | Crystal structure of buckwheat glutaredoxin-glutathione complex | Descriptor: | GLUTATHIONE, Glutaredoxin-glutathione complex | Authors: | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | Deposit date: | 2016-07-06 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity J. Inorg. Biochem., 173, 2017
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6QIM
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![BU of 6qim by Molmil](/molmil-images/mine/6qim) | Structure of AtPIP2;4 | Descriptor: | Probable aquaporin PIP2-4 | Authors: | Schoebel, S, Wang, H. | Deposit date: | 2019-01-21 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Characterization of aquaporin-driven hydrogen peroxide transport. Biochim Biophys Acta Biomembr, 1862, 2020
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3UDN
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![BU of 3udn by Molmil](/molmil-images/mine/3udn) | Crystal Structure of BACE with Compound 9 | Descriptor: | 1,2-ETHANEDIOL, 4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.193 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDK
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![BU of 3udk by Molmil](/molmil-images/mine/3udk) | Crystal Structure of BACE with Compound 6 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDY
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![BU of 3udy by Molmil](/molmil-images/mine/3udy) | Crystal Structure of BACE with Compound 11 | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDP
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![BU of 3udp by Molmil](/molmil-images/mine/3udp) | Crystal Structure of BACE with Compound 12 | Descriptor: | (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDH
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![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDQ
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![BU of 3udq by Molmil](/molmil-images/mine/3udq) | Crystal Structure of BACE with Compound 13 | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDM
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![BU of 3udm by Molmil](/molmil-images/mine/3udm) | Crystal Structure of BACE with Compound 8 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDJ
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![BU of 3udj by Molmil](/molmil-images/mine/3udj) | Crystal Structure of BACE with Compound 5 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDR
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![BU of 3udr by Molmil](/molmil-images/mine/3udr) | Crystal Structure of BACE with Compound 14 | Descriptor: | 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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4FDB
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![BU of 4fdb by Molmil](/molmil-images/mine/4fdb) | Three-dimensional structure of the protein prib from ralstonia solanacearum at the resolution 1.8a. northeast structural genomics consortium target rsr213c | Descriptor: | ACETIC ACID, Probable primosomal replication protein n | Authors: | Kuzin, A, Neely, H, Seetharaman, J, Wang, H, Sahdev, S, Foote, E.L, Xiao, R, Liu, J, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-05-27 | Release date: | 2013-02-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of the protein prib from ralstonia solanacearum at the resolution 1.8a. northeast structural genomics consortium target rsr213c To be Published
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4FI1
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![BU of 4fi1 by Molmil](/molmil-images/mine/4fi1) | Crystal structure of scCK2 alpha in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ... | Authors: | Liu, H, Wang, H, Teng, M, Li, X. | Deposit date: | 2012-06-07 | Release date: | 2013-06-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of scCK2 alpha in complex with ATP To be Published
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4F7P
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![BU of 4f7p by Molmil](/molmil-images/mine/4f7p) | Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009H1N1 PB1 (496-505) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, Gao, G.F. | Deposit date: | 2012-05-16 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals. J.Virol., 86, 2012
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