6JP3
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![BU of 6jp3 by Molmil](/molmil-images/mine/6jp3) | Crystal structure of peptide in complex with HLA-A1101. | Descriptor: | ALA-MET-TYR-LYS, ALA-THR-ILE-GLY-THR, Beta-2-microglobulin, ... | Authors: | Huan, X, Xiao, Z, Ren, E.C. | Deposit date: | 2019-03-25 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of suboptimal viral fragments of Epstein Barr Virus Rta peptide-HLA complex that stimulate CD8 T cell response. Sci Rep, 9, 2019
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6JOZ
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![BU of 6joz by Molmil](/molmil-images/mine/6joz) | Crystal structure of BRLF peptide from EBV in complex with HLA-A1101. | Descriptor: | ALA-THR-ILE-GLY-THR-ALA-MET-TYR-LYS, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Huan, X, Xiao, Z, Tadwal, V.S, Ren, E.C. | Deposit date: | 2019-03-25 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of suboptimal viral fragments of Epstein Barr Virus Rta peptide-HLA complex that stimulate CD8 T cell response. Sci Rep, 9, 2019
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7WZZ
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![BU of 7wzz by Molmil](/molmil-images/mine/7wzz) | |
7X00
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![BU of 7x00 by Molmil](/molmil-images/mine/7x00) | |
7X1B
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![BU of 7x1b by Molmil](/molmil-images/mine/7x1b) | |
7X1C
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![BU of 7x1c by Molmil](/molmil-images/mine/7x1c) | |
6CZS
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4I9I
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![BU of 4i9i by Molmil](/molmil-images/mine/4i9i) | Crystal structure of tankyrase 1 with compound 4 | Descriptor: | N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2012-12-05 | Release date: | 2013-02-06 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket. J.Med.Chem., 56, 2013
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3EDW
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![BU of 3edw by Molmil](/molmil-images/mine/3edw) | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H. | Deposit date: | 2008-09-03 | Release date: | 2010-03-02 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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3EF9
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![BU of 3ef9 by Molmil](/molmil-images/mine/3ef9) | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H. | Deposit date: | 2008-09-08 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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3ED7
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![BU of 3ed7 by Molmil](/molmil-images/mine/3ed7) | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H. | Deposit date: | 2008-09-02 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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8I3D
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8I39
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![BU of 8i39 by Molmil](/molmil-images/mine/8i39) | Cryo-EM structure of abscisic acid transporter AtABCG25 with ABA | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | Authors: | Huang, X, Zhang, X, Zhang, P. | Deposit date: | 2023-01-16 | Release date: | 2023-09-13 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25. Nat.Plants, 9, 2023
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8I3B
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8I3C
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![BU of 8i3c by Molmil](/molmil-images/mine/8i3c) | |
8I38
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8I3A
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![BU of 8i3a by Molmil](/molmil-images/mine/8i3a) | |
6IP2
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![BU of 6ip2 by Molmil](/molmil-images/mine/6ip2) | NSF-D1D2 part in the whole 20S complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Vesicle-fusing ATPase | Authors: | Huang, X, Sun, S, Wang, X, Fan, F, Zhou, Q, Sui, S.F. | Deposit date: | 2018-11-01 | Release date: | 2019-04-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanistic insights into the SNARE complex disassembly. Sci Adv, 5, 2019
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6OQB
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![BU of 6oqb by Molmil](/molmil-images/mine/6oqb) | Co-crystal structure of Mcl1 with inhibitor 10 | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OQD
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![BU of 6oqd by Molmil](/molmil-images/mine/6oqd) | Crystal structure of Mcl1 with inhibitor 8 | Descriptor: | (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6O6F
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![BU of 6o6f by Molmil](/molmil-images/mine/6o6f) | Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OQN
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![BU of 6oqn by Molmil](/molmil-images/mine/6oqn) | Crystal structure of Mcl1 with inhibitor 7 | Descriptor: | (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6O6G
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![BU of 6o6g by Molmil](/molmil-images/mine/6o6g) | Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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4RPV
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![BU of 4rpv by Molmil](/molmil-images/mine/4rpv) | co-crystal structure of Pim1 with compound 3 | Descriptor: | (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1 | Authors: | Huang, X. | Deposit date: | 2014-10-31 | Release date: | 2015-02-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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8IGN
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![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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