7DZE
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![BU of 7dze by Molmil](/molmil-images/mine/7dze) | Fabp ground state captured by XFELs | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZH
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![BU of 7dzh by Molmil](/molmil-images/mine/7dzh) | intermediate of FABP with a delay time of 100 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZF
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![BU of 7dzf by Molmil](/molmil-images/mine/7dzf) | Intermediate of FABP with a delay time of 10 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZG
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![BU of 7dzg by Molmil](/molmil-images/mine/7dzg) | Intermediate of FABP with a delay time of 30 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZI
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![BU of 7dzi by Molmil](/molmil-images/mine/7dzi) | intermediate of FABP with a delay time of 300 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZJ
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![BU of 7dzj by Molmil](/molmil-images/mine/7dzj) | Fabp protein before hv | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZK
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![BU of 7dzk by Molmil](/molmil-images/mine/7dzk) | Fabp protein after hv | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZL
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![BU of 7dzl by Molmil](/molmil-images/mine/7dzl) | A69C-M71L mutant of Fabp protein | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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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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7YEU
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![BU of 7yeu by Molmil](/molmil-images/mine/7yeu) | Superfolder green fluorescent protein with phosphine unnatural amino acid P3BF | Descriptor: | Superfolder green fluorescent protein | Authors: | Hu, C, Duan, H.Z, Liu, X.H, Chen, Y.X, Wang, J.Y. | Deposit date: | 2022-07-06 | Release date: | 2023-07-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Genetically Encoded Phosphine Ligand for Metalloprotein Design. J.Am.Chem.Soc., 144, 2022
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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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2I1T
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![BU of 2i1t by Molmil](/molmil-images/mine/2i1t) | |
5KIT
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![BU of 5kit by Molmil](/molmil-images/mine/5kit) | |
4QQX
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![BU of 4qqx by Molmil](/molmil-images/mine/4qqx) | Crystal structure of T. fusca Cas3-ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ... | Authors: | Ke, A, Huo, Y, Nam, K.H. | Deposit date: | 2014-06-30 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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4QQW
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![BU of 4qqw by Molmil](/molmil-images/mine/4qqw) | Crystal structure of T. fusca Cas3 | Descriptor: | CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | Authors: | Ke, A, Huo, Y, Nam, K.H. | Deposit date: | 2014-06-30 | Release date: | 2014-08-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.664 Å) | Cite: | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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8I0C
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![BU of 8i0c by Molmil](/molmil-images/mine/8i0c) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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8CIJ
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![BU of 8cij by Molmil](/molmil-images/mine/8cij) | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | Descriptor: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Musil, D, Toure, M. | Deposit date: | 2023-02-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.821 Å) | Cite: | Discovery of quinazoline HPK1 inhibitors with high cellular potency. Bioorg.Med.Chem., 92, 2023
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8CDW
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![BU of 8cdw by Molmil](/molmil-images/mine/8cdw) | |
6XFN
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![BU of 6xfn by Molmil](/molmil-images/mine/6xfn) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | Descriptor: | 3C-like proteinase, GLYCEROL, UAW243 | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-06-15 | Release date: | 2020-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XBI
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![BU of 6xbi by Molmil](/molmil-images/mine/6xbi) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-06-06 | Release date: | 2020-06-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XBH
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![BU of 6xbh by Molmil](/molmil-images/mine/6xbh) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247 | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-06-06 | Release date: | 2020-06-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XA4
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![BU of 6xa4 by Molmil](/molmil-images/mine/6xa4) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241 | Descriptor: | 3C-like proteinase, GLYCEROL, inhibitor UAW241 | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-06-03 | Release date: | 2020-06-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XBG
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![BU of 6xbg by Molmil](/molmil-images/mine/6xbg) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246 | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-06-05 | Release date: | 2020-06-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6VWC
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![BU of 6vwc by Molmil](/molmil-images/mine/6vwc) | Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors | Descriptor: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Judge, R.A, Judd, A.S. | Deposit date: | 2020-02-19 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor. Acs Med.Chem.Lett., 11, 2020
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