6KVL
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![BU of 6kvl by Molmil](/molmil-images/mine/6kvl) | Crystal structure of UDP-RebB-SrUGT76G1 | Descriptor: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | Authors: | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | Deposit date: | 2019-09-04 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1. Plant Commun., 1, 2020
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6KVI
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![BU of 6kvi by Molmil](/molmil-images/mine/6kvi) | Crystal structure of UDP-SrUGT76G1 | Descriptor: | UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | Authors: | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | Deposit date: | 2019-09-04 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1. Plant Commun., 1, 2020
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6KVJ
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![BU of 6kvj by Molmil](/molmil-images/mine/6kvj) | Crystal structure of UDPX-SrUGT76G1 | Descriptor: | UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE | Authors: | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | Deposit date: | 2019-09-04 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1. Plant Commun., 1, 2020
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6KRJ
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![BU of 6krj by Molmil](/molmil-images/mine/6krj) | |
6KSR
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![BU of 6ksr by Molmil](/molmil-images/mine/6ksr) | |
6KVK
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![BU of 6kvk by Molmil](/molmil-images/mine/6kvk) | Crystal structure of UDP-Sm-SrUGT76G1 | Descriptor: | Steviolmonoside, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | Authors: | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | Deposit date: | 2019-09-04 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1. Plant Commun., 1, 2020
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2IS3
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7E35
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![BU of 7e35 by Molmil](/molmil-images/mine/7e35) | Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43 | Descriptor: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION | Authors: | Liu, J, Wang, Y, Xu, X, Pan, L. | Deposit date: | 2021-02-08 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2. Cell Chem Biol, 28, 2021
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7XIK
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![BU of 7xik by Molmil](/molmil-images/mine/7xik) | SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex | Descriptor: | B38 Fab heavy chain, B38 Fab light chain, Spike protein S1 | Authors: | Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J. | Deposit date: | 2022-04-13 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex To Be Published
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7DSZ
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![BU of 7dsz by Molmil](/molmil-images/mine/7dsz) | Crystal structure of Amuc_1102 from Akkermansia muciniphila | Descriptor: | Amuc_1102, CHLORIDE ION | Authors: | Xiang, R, Wang, J, Wang, Y, Zhang, M, Wang, M. | Deposit date: | 2021-01-04 | Release date: | 2021-02-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Amuc_1102 fromAkkermansia muciniphilaadopts animmunoglobulin-like fold related to archaeal type IV pilus Biochem.Biophys.Res.Commun., 547, 2021
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7D6H
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6KL5
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![BU of 6kl5 by Molmil](/molmil-images/mine/6kl5) | Structure of The N-terminal domain of Middle East respiratory syndrome coronavirus Nucleocapsid Protein complexed with Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate | Descriptor: | (phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate, Nucleoprotein | Authors: | Hou, M.H, Lin, S.M, Hsu, J.N, Wang, Y.S. | Deposit date: | 2019-07-29 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structure-Based Stabilization of Non-native Protein-Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design. J.Med.Chem., 63, 2020
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2NNP
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![BU of 2nnp by Molmil](/molmil-images/mine/2nnp) | Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-24 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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2NMZ
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![BU of 2nmz by Molmil](/molmil-images/mine/2nmz) | Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE, SULFATE ION | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-23 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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2NNK
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![BU of 2nnk by Molmil](/molmil-images/mine/2nnk) | Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, CHLORIDE ION, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-24 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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2NMY
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![BU of 2nmy by Molmil](/molmil-images/mine/2nmy) | Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, PROTEASE, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-23 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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7C8B
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![BU of 7c8b by Molmil](/molmil-images/mine/7c8b) | Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK | Descriptor: | 3C-like proteinase, CHLORIDE ION, Z-VAD(OMe)-FMK | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | Deposit date: | 2020-05-29 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK To Be Published
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7X4C
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![BU of 7x4c by Molmil](/molmil-images/mine/7x4c) | Native CD-NTase EfCdnE | Descriptor: | EfCdnE, L(+)-TARTARIC ACID | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-02 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7X4P
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![BU of 7x4p by Molmil](/molmil-images/mine/7x4p) | CD-NTase EfCdnE in complex with intermediate pppUpU | Descriptor: | EfCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ... | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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7X4Q
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![BU of 7x4q by Molmil](/molmil-images/mine/7x4q) | LpCdnE UTP Mg complex | Descriptor: | Cyclic dipyrimidine nucleotide synthase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
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6LSN
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![BU of 6lsn by Molmil](/molmil-images/mine/6lsn) | Crystal structure of tubulin-inhibitor complex | Descriptor: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Gang, L, Wang, Y.X, Cheng, J.J. | Deposit date: | 2020-01-17 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities To Be Published
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7EBL
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![BU of 7ebl by Molmil](/molmil-images/mine/7ebl) | Bacterial STING in complex with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), STING | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2021-03-10 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure and functional implication of bacterial STING. Nat Commun, 13, 2022
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7EBD
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![BU of 7ebd by Molmil](/molmil-images/mine/7ebd) | Bacterial STING in complex with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETATE ION, TIR-like domain-containing protein | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2021-03-09 | Release date: | 2021-09-15 | Last modified: | 2022-01-19 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure and functional implication of bacterial STING. Nat Commun, 13, 2022
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6LSM
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![BU of 6lsm by Molmil](/molmil-images/mine/6lsm) | Tubulin Polymerization Inhibitors | Descriptor: | 2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Gang, L, Wang, Y.X, Chen, J.J. | Deposit date: | 2020-01-17 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities To Be Published
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7XMK
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![BU of 7xmk by Molmil](/molmil-images/mine/7xmk) | Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | Descriptor: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Yang, S. | Deposit date: | 2022-04-26 | Release date: | 2023-04-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.376 Å) | Cite: | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases. J.Med.Chem., 67, 2024
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