2BI4
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![BU of 2bi4 by Molmil](/molmil-images/mine/2bi4) | Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli | 分子名称: | CHLORIDE ION, FE (III) ION, LACTALDEHYDE REDUCTASE, ... | 著者 | Montella, C, Bellsolell, L, Badia, J, Baldoma, L, Perez, R, Coll, M, Aguilar, J. | 登録日 | 2005-01-20 | 公開日 | 2005-07-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Crystal Structure of an Iron-Dependent Group III Dehydrogenase that Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli J.Bacteriol., 187, 2005
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5LQ0
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![BU of 5lq0 by Molmil](/molmil-images/mine/5lq0) | Crystal structure of Tyr24 phosphorylated Annexin A2 at 2.9 A resolution | 分子名称: | Annexin A2, CALCIUM ION | 著者 | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | 登録日 | 2016-08-15 | 公開日 | 2017-07-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
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2BS7
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![BU of 2bs7 by Molmil](/molmil-images/mine/2bs7) | Crystal structure of F17b-G in complex with chitobiose | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F17BG LECTIN | 著者 | Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | 登録日 | 2005-05-18 | 公開日 | 2006-05-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour. Acta Crystallogr.,Sect.D, 61, 2005
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5KO6
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![BU of 5ko6 by Molmil](/molmil-images/mine/5ko6) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine and ribose-1-phosphate | 分子名称: | 1-O-phosphono-alpha-D-ribofuranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase | 著者 | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | 登録日 | 2016-06-29 | 公開日 | 2017-08-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
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4TRO
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![BU of 4tro by Molmil](/molmil-images/mine/4tro) | Structure of the enoyl-ACP reductase of Mycobacterium tuberculosis InhA, inhibited with the active metabolite of isoniazid | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | 著者 | Chollet, A, Julien, S, Mourey, L, Maveyraud, L. | 登録日 | 2014-06-17 | 公開日 | 2015-04-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach. J.Struct.Biol., 190, 2015
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7P7N
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7V2A
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![BU of 7v2a by Molmil](/molmil-images/mine/7v2a) | SARS-CoV-2 Spike trimer in complex with XG014 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | 著者 | Wang, K, Wang, X, Pan, L. | 登録日 | 2021-08-07 | 公開日 | 2021-10-20 | 最終更新日 | 2022-07-06 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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5J1W
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![BU of 5j1w by Molmil](/molmil-images/mine/5j1w) | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-03-29 | 公開日 | 2016-05-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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4TRM
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![BU of 4trm by Molmil](/molmil-images/mine/4trm) | Structure of the apo form of InhA from Mycobacterium tuberculosis | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH] | 著者 | Chollet, A, Julien, S, Mourey, L, Maveyraud, L. | 登録日 | 2014-06-17 | 公開日 | 2015-04-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach. J.Struct.Biol., 190, 2015
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5M7M
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![BU of 5m7m by Molmil](/molmil-images/mine/5m7m) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | 分子名称: | CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ... | 著者 | Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L. | 登録日 | 2016-10-28 | 公開日 | 2017-08-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors. J. Med. Chem., 60, 2017
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5D0F
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8HEI
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![BU of 8hei by Molmil](/molmil-images/mine/8hei) | Crystal structure of CTSB in complex with E64d | 分子名称: | Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | 登録日 | 2022-11-08 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HET
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![BU of 8het by Molmil](/molmil-images/mine/8het) | Crystal structure of CTSL in complex with E64d | 分子名称: | Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | 著者 | Wang, H, Shao, M, Sun, L, Yang, H. | 登録日 | 2022-11-08 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HE9
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![BU of 8he9 by Molmil](/molmil-images/mine/8he9) | Crystal structure of CTSB in complex with K777 | 分子名称: | Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | 登録日 | 2022-11-07 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HD8
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![BU of 8hd8 by Molmil](/molmil-images/mine/8hd8) | Crystal structure of TMPRSS2 in complex with 212-148 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | 著者 | Wang, H, Liu, X, Sun, L, Yang, H. | 登録日 | 2022-11-03 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HFV
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![BU of 8hfv by Molmil](/molmil-images/mine/8hfv) | Crystal structure of CTSL in complex with K777 | 分子名称: | CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ... | 著者 | Wang, H, Shao, M, Sun, L, Yang, H. | 登録日 | 2022-11-12 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HEN
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![BU of 8hen by Molmil](/molmil-images/mine/8hen) | Crystal structure of CTSB in complex with 212-148 | 分子名称: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ... | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | 登録日 | 2022-11-08 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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5J1V
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![BU of 5j1v by Molmil](/molmil-images/mine/5j1v) | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-03-29 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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5D06
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4Z8U
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![BU of 4z8u by Molmil](/molmil-images/mine/4z8u) | CRYSTAL STRUCTURE OF AvrRxo1-ORF1:-ORF2 WITH ATP | 分子名称: | ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ... | 著者 | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | 登録日 | 2015-04-09 | 公開日 | 2015-09-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2. Structure, 23, 2015
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4RMM
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![BU of 4rmm by Molmil](/molmil-images/mine/4rmm) | Crystal Structure of the Q7NVP2_CHRVO protein from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvR191 | 分子名称: | Putative uncharacterized protein | 著者 | Vorobiev, S, Su, M, Seetharaman, J, Mao, L, Xiao, R, Ciccosanti, C, Foote, E.L, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2014-10-21 | 公開日 | 2014-11-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of the Q7NVP2_CHRVO protein from Chromobacterium violaceum. To be Published
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4TRN
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![BU of 4trn by Molmil](/molmil-images/mine/4trn) | STRUCTURE OF INHA FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED TO NADH | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, INHA, ... | 著者 | Chollet, A, Julien, S, Mourey, L, Maveyraud, L. | 登録日 | 2014-06-17 | 公開日 | 2015-04-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach. J.Struct.Biol., 190, 2015
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4RL6
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![BU of 4rl6 by Molmil](/molmil-images/mine/4rl6) | Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR105 | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Saccharopine dehydrogenase | 著者 | Vorobiev, S, Neely, H.M, Odukwe, C.D, Seetharaman, J, Mao, L, Xiao, R, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2014-10-15 | 公開日 | 2014-11-05 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae. To be Published
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2BL4
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![BU of 2bl4 by Molmil](/molmil-images/mine/2bl4) | Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli | 分子名称: | CHLORIDE ION, FE (II) ION, LACTALDEHYDE REDUCTASE, ... | 著者 | Montella, C, Bellsolell, L, Perez-Luque, R, Badia, J, Baldoma, L, Coll, M, Aguilar, J. | 登録日 | 2005-03-01 | 公開日 | 2005-07-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Crystal Structure of an Iron-Dependent Group III Dehydrogenase that Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli. J.Bacteriol., 187, 2005
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7PHG
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![BU of 7phg by Molmil](/molmil-images/mine/7phg) | MaP OF P5C3RBD Interface | 分子名称: | Heavy ChaIn variable, Light ChaIn, Surface glycoprotein | 著者 | Perez, L. | 登録日 | 2021-08-17 | 公開日 | 2021-10-13 | 最終更新日 | 2021-10-27 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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