7TOC
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![BU of 7toc by Molmil](/molmil-images/mine/7toc) | Crystal Structure of the Mitochondrial Ketol-acid Reductoisomerase IlvC from Candida auris | 分子名称: | ACETIC ACID, Ketol-acid reductoisomerase, mitochondrial, ... | 著者 | Kim, Y, Evdokimova, E, Di, R, Stogios, P, Savchenko, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2022-01-24 | 公開日 | 2022-02-16 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Crystal Structure of the Mitochondrial Ketol-acid Reductoisomerase IlvC from Candida auris To Be Published
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7TVX
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7TVS
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![BU of 7tvs by Molmil](/molmil-images/mine/7tvs) | The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide | 著者 | Tan, K, Maltseva, N.I, Endres, M.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2022-02-05 | 公開日 | 2022-02-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88612878 Å) | 主引用文献 | The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib To Be Published
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2MS6
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![BU of 2ms6 by Molmil](/molmil-images/mine/2ms6) | Human Telomeric G-quadruplex DNA sequence (TTAGGGT)4 complexed with Flavonoid Quercetin | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3') | 著者 | Kumar, A, Tawani, A. | 登録日 | 2014-07-24 | 公開日 | 2015-01-28 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Insight into the interaction of Flavonoids with Human Telomeric Sequence Sci Rep, 5, 2015
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6VIT
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7TWE
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![BU of 7twe by Molmil](/molmil-images/mine/7twe) | Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to 2-oxo-glutaric acid | 分子名称: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DUF1479 domain-containing protein, ... | 著者 | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2022-02-07 | 公開日 | 2022-02-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to 2-oxo-glutaric acid To Be Published
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7TWC
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![BU of 7twc by Molmil](/molmil-images/mine/7twc) | Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to CAPS | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, DUF1479 domain-containing protein, GLYCEROL, ... | 著者 | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2022-02-07 | 公開日 | 2022-02-16 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to CAPS To Be Published
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6VLF
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![BU of 6vlf by Molmil](/molmil-images/mine/6vlf) | Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 in its Apo-form | 分子名称: | 1,2-ETHANEDIOL, Alpha-(1,6)-fucosyltransferase, SULFATE ION | 著者 | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E. | 登録日 | 2020-01-23 | 公開日 | 2020-02-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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6VM0
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![BU of 6vm0 by Molmil](/molmil-images/mine/6vm0) | Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-1) | 分子名称: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | 著者 | Kumar, A, Basak, S, Chakrapani, S. | 登録日 | 2020-01-27 | 公開日 | 2020-07-29 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs. Nat Commun, 11, 2020
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6VO5
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![BU of 6vo5 by Molmil](/molmil-images/mine/6vo5) | Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4 | 分子名称: | ACETATE ION, GLYCEROL, Histone H4, ... | 著者 | Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2020-01-30 | 公開日 | 2020-03-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4 to be published
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2N9M
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6TP4
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![BU of 6tp4 by Molmil](/molmil-images/mine/6tp4) | Crystal structure of the Orexin-1 receptor in complex with ACT-462206 | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, Orexin receptor type 1, ... | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | 登録日 | 2019-12-12 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.011 Å) | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TPG
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![BU of 6tpg by Molmil](/molmil-images/mine/6tpg) | Crystal structure of the Orexin-2 receptor in complex with EMPA at 2.74 A resolution | 分子名称: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ... | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | 登録日 | 2019-12-13 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.741 Å) | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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2NCH
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7BCS
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![BU of 7bcs by Molmil](/molmil-images/mine/7bcs) | ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | 分子名称: | (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | 著者 | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | 登録日 | 2020-12-21 | 公開日 | 2021-09-22 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | 主引用文献 | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach. Proc.Natl.Acad.Sci.USA, 118, 2021
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1UGY
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![BU of 1ugy by Molmil](/molmil-images/mine/1ugy) | Crystal structure of jacalin- mellibiose (Gal-alpha(1-6)-Glc) complex | 分子名称: | Agglutinin alpha chain, Agglutinin beta-3 chain, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose, ... | 著者 | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2003-06-23 | 公開日 | 2003-09-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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6VI8
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![BU of 6vi8 by Molmil](/molmil-images/mine/6vi8) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a superoxo bound structure | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | 著者 | Wang, Y, Liu, F, Yang, Y, Liu, A. | 登録日 | 2020-01-12 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VIA
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![BU of 6via by Molmil](/molmil-images/mine/6via) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered lactone bound structure | 分子名称: | (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | 著者 | Wang, Y, Liu, F, Yang, Y, Liu, A. | 登録日 | 2020-01-12 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.591 Å) | 主引用文献 | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VQN
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![BU of 6vqn by Molmil](/molmil-images/mine/6vqn) | Co-crystal structure of human PD-L1 complexed with Compound A | 分子名称: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | 著者 | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | 登録日 | 2020-02-05 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1. Nat Commun, 12, 2021
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2MZ2
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6VLD
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![BU of 6vld by Molmil](/molmil-images/mine/6vld) | Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 bound to GDP and A2SGP | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARAGINE, Alpha-(1,6)-fucosyltransferase, ... | 著者 | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | 登録日 | 2020-01-23 | 公開日 | 2020-02-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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6VV0
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![BU of 6vv0 by Molmil](/molmil-images/mine/6vv0) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1354 | 分子名称: | 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-02-16 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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3P20
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![BU of 3p20 by Molmil](/molmil-images/mine/3p20) | Crystal structure of vanadate bound subunit A of the A1AO ATP synthase | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | 著者 | Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G. | 登録日 | 2010-10-01 | 公開日 | 2011-03-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase. J.Mol.Biol., 408, 2011
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6TP6
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![BU of 6tp6 by Molmil](/molmil-images/mine/6tp6) | Crystal structure of the Orexin-1 receptor in complex with filorexant | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CHLORIDE ION, Orexin receptor type 1, ... | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | 登録日 | 2019-12-12 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.338 Å) | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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2MS5
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