4TW2
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![BU of 4tw2 by Molmil](/molmil-images/mine/4tw2) | Crystal Structure of SCARB2 in Neural Condition (pH7.5) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor class B member 2, ... | Authors: | Dang, M.H, Wang, X.X, Rao, Z.H. | Deposit date: | 2014-06-29 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.889 Å) | Cite: | Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71 Protein Cell, 5, 2014
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6ISS
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![BU of 6iss by Molmil](/molmil-images/mine/6iss) | Lignin peroxidase H8 triple mutant S49C/A67C/H239 | Descriptor: | CALCIUM ION, Ligninase H8, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Seo, H, Son, H, Kim, K.-J. | Deposit date: | 2018-11-19 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Extra disulfide and ionic salt bridge improves the thermostability of lignin peroxidase H8 under acidic condition Enzyme.Microb.Technol., 148, 2021
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8G1Z
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![BU of 8g1z by Molmil](/molmil-images/mine/8g1z) | |
8G20
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![BU of 8g20 by Molmil](/molmil-images/mine/8g20) | |
7BWJ
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![BU of 7bwj by Molmil](/molmil-images/mine/7bwj) | crystal structure of SARS-CoV-2 antibody with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Wang, X, Ge, J. | Deposit date: | 2020-04-14 | Release date: | 2020-06-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Human neutralizing antibodies elicited by SARS-CoV-2 infection. Nature, 584, 2020
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5GSA
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![BU of 5gsa by Molmil](/molmil-images/mine/5gsa) | EED in complex with an allosteric PRC2 inhibitor | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of Nat. Chem. Biol., 13, 2017
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7W8L
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![BU of 7w8l by Molmil](/molmil-images/mine/7w8l) | Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila - M46R | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | Deposit date: | 2021-12-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis. Chem Sci, 13, 2022
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7W8M
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![BU of 7w8m by Molmil](/molmil-images/mine/7w8m) | Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - A129R | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | Deposit date: | 2021-12-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis. Chem Sci, 13, 2022
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7O70
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![BU of 7o70 by Molmil](/molmil-images/mine/7o70) | KRasG12C ligand complex | Descriptor: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | Authors: | Phillips, C. | Deposit date: | 2021-04-12 | Release date: | 2022-04-20 | Last modified: | 2022-05-25 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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7O83
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![BU of 7o83 by Molmil](/molmil-images/mine/7o83) | KRasG12C ligand complex | Descriptor: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Phillips, C, Breed, J. | Deposit date: | 2021-04-14 | Release date: | 2022-04-20 | Last modified: | 2022-05-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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6O98
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![BU of 6o98 by Molmil](/molmil-images/mine/6o98) | Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor | Descriptor: | 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma | Authors: | Sack, J.S. | Deposit date: | 2019-03-13 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists. ACS Med Chem Lett, 10, 2019
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6OUS
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![BU of 6ous by Molmil](/molmil-images/mine/6ous) | Structure of fusion glycoprotein from human respiratory syncytial virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, ... | Authors: | Su, H.P. | Deposit date: | 2019-05-05 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein. Nat Commun, 10, 2019
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8HJT
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![BU of 8hjt by Molmil](/molmil-images/mine/8hjt) | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ... | Authors: | Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-11-23 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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6M2B
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![BU of 6m2b by Molmil](/molmil-images/mine/6m2b) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Li, H. | Deposit date: | 2020-02-27 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
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8IH4
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![BU of 8ih4 by Molmil](/molmil-images/mine/8ih4) | Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant | Descriptor: | Butyrophilin subfamily 2 member A2 | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-22 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IGT
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![BU of 8igt by Molmil](/molmil-images/mine/8igt) | Crystal Structure of Intracellular B30.2 Domain of BTN2A1 | Descriptor: | Butyrophilin subfamily 2 member A1, ZINC ION | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-21 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IZE
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![BU of 8ize by Molmil](/molmil-images/mine/8ize) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP | Descriptor: | Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-07 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IXV
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![BU of 8ixv by Molmil](/molmil-images/mine/8ixv) | Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-03 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IZG
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![BU of 8izg by Molmil](/molmil-images/mine/8izg) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-07 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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5W4W
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![BU of 5w4w by Molmil](/molmil-images/mine/5w4w) | |
6O1S
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![BU of 6o1s by Molmil](/molmil-images/mine/6o1s) | Structure of human plasma kallikrein protease domain with inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | Authors: | Partridge, J.R, Choy, R.M. | Deposit date: | 2019-02-21 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
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6ONO
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![BU of 6ono by Molmil](/molmil-images/mine/6ono) | Complex structure of WhiB1 and region 4 of SigA in C2221 space group | Descriptor: | DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ... | Authors: | Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M. | Deposit date: | 2019-04-22 | Release date: | 2019-11-27 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis. Nucleic Acids Res., 48, 2020
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6ONU
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![BU of 6onu by Molmil](/molmil-images/mine/6onu) | Complex structure of WhiB1 and region 4 of SigA in P21 space group. | Descriptor: | DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ... | Authors: | Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M. | Deposit date: | 2019-04-22 | Release date: | 2019-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis. Nucleic Acids Res., 48, 2020
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6ONY
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![BU of 6ony by Molmil](/molmil-images/mine/6ony) | BRD2_Bromodomain1 complex with inhibitor 744 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Bigelow, L. | Deposit date: | 2019-04-22 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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8GOE
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![BU of 8goe by Molmil](/molmil-images/mine/8goe) | Structure of hSLC19A1+5-MTHF | Descriptor: | N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Reduced folate transporter | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | Deposit date: | 2022-08-24 | Release date: | 2022-10-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature, 612, 2022
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