5Y7H
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5G46
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![BU of 5g46 by Molmil](/molmil-images/mine/5g46) | Ligand complex of RORg LBD | 分子名称: | 2-ETHYL-4(1H)-QUINOLINONE, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ... | 著者 | Xue, Y, Guo, H, Hillertz, P. | 登録日 | 2016-05-04 | 公開日 | 2016-08-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
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8GHP
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![BU of 8ghp by Molmil](/molmil-images/mine/8ghp) | GUCY2C-ECD bound to anti-GUCY2C-scFv antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Guanylyl cyclase C, anti-GUCY2C-scFv antibody heavy chain, ... | 著者 | Mosyak, L. | 登録日 | 2023-03-10 | 公開日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.52 Å) | 主引用文献 | Molecular insights into recognition of GUCY2C by T-cell engaging bispecific antibody anti-GUCY2CxCD3. Sci Rep, 13, 2023
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6UZW
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![BU of 6uzw by Molmil](/molmil-images/mine/6uzw) | Crystal structure of GLUN1/GLUN2A ligand-binding domain in complex with glycine and UBP791 | 分子名称: | (2S,3R)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid, GLYCINE, Glutamate receptor ionotropic, ... | 著者 | Wang, J.X, Furukawa, H. | 登録日 | 2019-11-15 | 公開日 | 2020-01-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structural basis of subtype-selective competitive antagonism for GluN2C/2D-containing NMDA receptors. Nat Commun, 11, 2020
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6V02
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![BU of 6v02 by Molmil](/molmil-images/mine/6v02) | N-terminal 5 domains of CI-MPR | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor | 著者 | Olson, L.J, Dahms, N.M, Kim, J.-J.P. | 登録日 | 2019-11-18 | 公開日 | 2020-09-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor. Commun Biol, 3, 2020
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5TZR
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![BU of 5tzr by Molmil](/molmil-images/mine/5tzr) | GPR40 in complex with partial agonist MK-8666 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ... | 著者 | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | 登録日 | 2016-11-22 | 公開日 | 2017-06-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40. Nat. Struct. Mol. Biol., 24, 2017
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5GHV
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![BU of 5ghv by Molmil](/molmil-images/mine/5ghv) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2016-06-20 | 公開日 | 2016-07-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4IU5
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![BU of 4iu5 by Molmil](/molmil-images/mine/4iu5) | Crystal structure of Leishmania mexicana arginase in complex with catalytic product L-ornithine | 分子名称: | Arginase, GLYCEROL, L-ornithine, ... | 著者 | D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W. | 登録日 | 2013-01-19 | 公開日 | 2013-01-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections. Arch.Biochem.Biophys., 535, 2013
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5U3F
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![BU of 5u3f by Molmil](/molmil-images/mine/5u3f) | Structure of Mycobacterium tuberculosis IlvE, a branched-chain amino acid transaminase, in complex with D-cycloserine derivative | 分子名称: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Branched-chain-amino-acid aminotransferase | 著者 | Favrot, L, Amorim Franco, T.M, Blanchard, J.S. | 登録日 | 2016-12-02 | 公開日 | 2017-03-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.695 Å) | 主引用文献 | Mechanism-Based Inhibition of the Mycobacterium tuberculosis Branched-Chain Aminotransferase by d- and l-Cycloserine. ACS Chem. Biol., 12, 2017
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8GHO
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![BU of 8gho by Molmil](/molmil-images/mine/8gho) | GUCY2C-peptide bound to anti-GUCY2C-scFv antibody | 分子名称: | Guanylyl cyclase C peptide, anti-GUCY2C-scFv antibody heavy chain, anti-GUCY2C-scFv antibody light chain | 著者 | Mosyak, L. | 登録日 | 2023-03-10 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Molecular insights into recognition of GUCY2C by T-cell engaging bispecific antibody anti-GUCY2CxCD3. Sci Rep, 13, 2023
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7SVP
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5U58
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![BU of 5u58 by Molmil](/molmil-images/mine/5u58) | Psf4 in complex with Fe2+ and (R)-2-HPP | 分子名称: | (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION, [(2R)-2-hydroxypropyl]phosphonic acid | 著者 | Chekan, J.R, Nair, S.K. | 登録日 | 2016-12-06 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads. ACS Chem. Biol., 12, 2017
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4ISA
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![BU of 4isa by Molmil](/molmil-images/mine/4isa) | Crystal Structure of the Escherichia coli LpxC/BB-78485 complex | 分子名称: | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ... | 著者 | Lee, C.-J, Zhou, P. | 登録日 | 2013-01-16 | 公開日 | 2013-10-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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4IS8
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4IU0
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![BU of 4iu0 by Molmil](/molmil-images/mine/4iu0) | Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABH | 分子名称: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase, GLYCEROL, ... | 著者 | D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W. | 登録日 | 2013-01-19 | 公開日 | 2013-01-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections. Arch.Biochem.Biophys., 535, 2013
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5UFJ
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![BU of 5ufj by Molmil](/molmil-images/mine/5ufj) | Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6 | 分子名称: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | 著者 | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | 登録日 | 2017-01-04 | 公開日 | 2017-02-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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7T1D
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![BU of 7t1d by Molmil](/molmil-images/mine/7t1d) | Human SIRT2 in complex with small molecule 359 | 分子名称: | 1,2-ETHANEDIOL, 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, ... | 著者 | Kulp, J.L, Remiszewski, S, Todd, M, Chiang, L.W. | 登録日 | 2021-12-01 | 公開日 | 2023-05-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | An allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity. J.Clin.Invest., 133, 2023
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7ST5
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![BU of 7st5 by Molmil](/molmil-images/mine/7st5) | Structure of Fab CC-95251 in complex with SIRP-alpha | 分子名称: | 1,2-ETHANEDIOL, Fab CC-95251 anti-SIRP-alpha heavy chain, Fab CC-95251 anti-SIRP-alpha light chain, ... | 著者 | Fenalti, G. | 登録日 | 2021-11-12 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Preclinical Activity of BMS-986351, an Antibody to SIRP alpha That Enhances Macrophage-mediated Tumor Phagocytosis When Combined with Opsonizing Antibodies. Cancer Res Commun, 4, 2024
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8GEM
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![BU of 8gem by Molmil](/molmil-images/mine/8gem) | Crystal structure of human cellular retinol binding protein 1 in complex with N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethanamine | 分子名称: | N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine, Retinol-binding protein 1 | 著者 | Plau, J, Golczak, M. | 登録日 | 2023-03-07 | 公開日 | 2023-10-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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8GDM
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![BU of 8gdm by Molmil](/molmil-images/mine/8gdm) | Crystal structure of human cellular retinol binding protein 1 in complex with {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine | 分子名称: | (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine, Retinol-binding protein 1 | 著者 | Plau, J, Golczak, M. | 登録日 | 2023-03-06 | 公開日 | 2023-10-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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5U94
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![BU of 5u94 by Molmil](/molmil-images/mine/5u94) | Crystal structure of the Mycobacterium tuberculosis PASTA kinase PknB in complex with the potential theraputic kinase inhibitor GSK690693. | 分子名称: | 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol, GLYCEROL, MAGNESIUM ION, ... | 著者 | Wlodarchak, N, Satyshur, K, Striker, R. | 登録日 | 2016-12-15 | 公開日 | 2017-12-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | In Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with beta-Lactams To Inhibit Mycobacterial Growth. Mol. Pharm., 15, 2018
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5YLT
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![BU of 5ylt by Molmil](/molmil-images/mine/5ylt) | Crystal structure of SET7/9 in complex with a cyproheptadine derivative | 分子名称: | 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | 著者 | Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H. | 登録日 | 2017-10-19 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine. ChemMedChem, 13, 2018
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5Y9K
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![BU of 5y9k by Molmil](/molmil-images/mine/5y9k) | Structure of the belimumab Fab fragment | 分子名称: | belimumab heavy chain, belimumab light chain | 著者 | Heo, Y.-S, Shin, W. | 登録日 | 2017-08-25 | 公開日 | 2018-02-21 | 最終更新日 | 2019-09-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | BAFF-neutralizing interaction of belimumab related to its therapeutic efficacy for treating systemic lupus erythematosus. Nat Commun, 9, 2018
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5GPG
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![BU of 5gpg by Molmil](/molmil-images/mine/5gpg) | Co-crystal structure of the FK506 binding domain of human FKBP25, Rapamycin and the FRB domain of human mTOR | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP3, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, Serine/threonine-protein kinase mTOR | 著者 | Lee, H.B, Lee, S.Y, Rhee, H.W, Lee, C.W. | 登録日 | 2016-08-02 | 公開日 | 2016-10-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Proximity-Directed Labeling Reveals a New Rapamycin-Induced Heterodimer of FKBP25 and FRB in Live Cells Acs Cent.Sci., 2, 2016
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4J28
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![BU of 4j28 by Molmil](/molmil-images/mine/4j28) | Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor | 分子名称: | (2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol, Alpha-L-fucosidase, GLYCEROL, ... | 著者 | Wright, D.W. | 登録日 | 2013-02-04 | 公開日 | 2013-05-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor. Bioorg.Med.Chem., 21, 2013
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