1EG4
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![BU of 1eg4 by Molmil](/molmil-images/mine/1eg4) | STRUCTURE OF A DYSTROPHIN WW DOMAIN FRAGMENT IN COMPLEX WITH A BETA-DYSTROGLYCAN PEPTIDE | Descriptor: | BETA-DYSTROGLYCAN, DYSTROPHIN | Authors: | Huang, X, Poy, F, Zhang, R, Joachimiak, A, Sudol, M, Eck, M.J. | Deposit date: | 2000-02-11 | Release date: | 2000-08-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a WW domain containing fragment of dystrophin in complex with beta-dystroglycan. Nat.Struct.Biol., 7, 2000
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1MRY
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![BU of 1mry by Molmil](/molmil-images/mine/1mry) | crystal structure of an inactive akt2 kinase domain | Descriptor: | RAC-beta serine/threonine kinase | Authors: | Huang, X, Begley, M, Morgenstern, K.A, Gu, Y, Rose, P, Zhao, H, Zhu, X. | Deposit date: | 2002-09-18 | Release date: | 2003-09-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of an inactive akt2 kinase domain Structure, 11, 2003
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1MRV
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![BU of 1mrv by Molmil](/molmil-images/mine/1mrv) | crystal structure of an inactive Akt2 kinase domain | Descriptor: | RAC-beta serine/threonine kinase | Authors: | Huang, X, Begley, M, Morgenstern, K.A, Gu, Y, Rose, P, Zhao, H, Zhu, X. | Deposit date: | 2002-09-18 | Release date: | 2003-09-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of an inactive akt2 kinase domain Structure, 11, 2003
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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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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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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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8IGO
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![BU of 8igo by Molmil](/molmil-images/mine/8igo) | Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 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 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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6LTU
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![BU of 6ltu by Molmil](/molmil-images/mine/6ltu) | Crystal structure of Cas12i2 ternary complex with double Mg2+ bound in catalytic pocket | Descriptor: | 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ... | Authors: | Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y. | Deposit date: | 2020-01-23 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2. Nat Commun, 11, 2020
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6LTR
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![BU of 6ltr by Molmil](/molmil-images/mine/6ltr) | Crystal structure of Cas12i2 ternary complex with single Mg2+ bound in catalytic pocket | Descriptor: | 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ... | Authors: | Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y. | Deposit date: | 2020-01-23 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2. Nat Commun, 11, 2020
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6LU0
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![BU of 6lu0 by Molmil](/molmil-images/mine/6lu0) | Crystal structure of Cas12i2 ternary complex with 12 nt spacer | Descriptor: | Cas12i2, DNA (5'-D(*GP*CP*CP*GP*CP*TP*TP*TP*CP*TP*T)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*CP*TP*CP*TP*GP*TP*TP*GP*AP*AP*AP*GP*CP*GP*GP*C)-3'), ... | Authors: | Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y. | Deposit date: | 2020-01-24 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2. Nat Commun, 11, 2020
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6OQC
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![BU of 6oqc by Molmil](/molmil-images/mine/6oqc) | Crystal structure of Mcl1 with inhibitor 9 | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-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 (1.8 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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6M54
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![BU of 6m54 by Molmil](/molmil-images/mine/6m54) | Human apo ferritin frozen on TEM grid with Amorphous nickel titanium alloy supporting film | Descriptor: | FE (II) ION, Ferritin heavy chain | Authors: | Huang, X, Zhang, L, Wen, Z, Chen, H, Li, S, Ji, G, Yin, C, Sun, F. | Deposit date: | 2020-03-09 | Release date: | 2020-05-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Amorphous nickel titanium alloy film: A new choice for cryo electron microscopy sample preparation. Prog.Biophys.Mol.Biol., 156, 2020
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4N4V
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![BU of 4n4v by Molmil](/molmil-images/mine/4n4v) | |
4N3R
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![BU of 4n3r by Molmil](/molmil-images/mine/4n3r) | Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide) | Descriptor: | 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors. ACS Med Chem Lett, 4, 2013
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4N4T
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![BU of 4n4t by Molmil](/molmil-images/mine/4n4t) | |
4N90
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![BU of 4n90 by Molmil](/molmil-images/mine/4n90) | |
8I3D
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![BU of 8i3d by Molmil](/molmil-images/mine/8i3d) | |
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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![BU of 8i3b by Molmil](/molmil-images/mine/8i3b) | |
8I3C
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![BU of 8i3c by Molmil](/molmil-images/mine/8i3c) | |
8I38
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![BU of 8i38 by Molmil](/molmil-images/mine/8i38) | |
8I3A
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![BU of 8i3a by Molmil](/molmil-images/mine/8i3a) | |
4HGT
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![BU of 4hgt by Molmil](/molmil-images/mine/4hgt) | Crystal structure of ck1d with compound 13 | Descriptor: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform delta | Authors: | Huang, X. | Deposit date: | 2012-10-08 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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4HGL
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![BU of 4hgl by Molmil](/molmil-images/mine/4hgl) | Crystal structure of ck1g3 with compound 1 | Descriptor: | 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2012-10-08 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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8W9B
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![BU of 8w9b by Molmil](/molmil-images/mine/8w9b) | CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site | Descriptor: | 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Huang, X, Ren, X, Zhong, W. | Deposit date: | 2023-09-05 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 2024
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