7B6K
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![BU of 7b6k by Molmil](/molmil-images/mine/7b6k) | Crystal structure of MurE from E.coli in complex with Z57715447 | 分子名称: | 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole, CITRIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.838 Å) | 主引用文献 | Crystal structure of MurE from E.coli To Be Published
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7AL4
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![BU of 7al4 by Molmil](/molmil-images/mine/7al4) | Ancestral Flavin-containing monooxygenase (FMO) 1 (mammalian) | 分子名称: | Ancestral Flavin-containing monooxygenase 1 (mammalian), CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Nicoll, C.R, Mattevi, A. | 登録日 | 2020-10-05 | 公開日 | 2020-12-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties. J.Biol.Chem., 296, 2020
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4UX8
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![BU of 4ux8 by Molmil](/molmil-images/mine/4ux8) | RET recognition of GDNF-GFRalpha1 ligand by a composite binding site promotes membrane-proximal self-association | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF FAMILY RECEPTOR ALPHA-1, ... | 著者 | Goodman, K, Kjaer, S, Beuron, F, Knowles, P, Nawrotek, A, Burns, E, Purkiss, A, George, R, Santoro, M, Morris, E.P, McDonald, N.Q. | 登録日 | 2014-08-19 | 公開日 | 2014-10-01 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (24 Å) | 主引用文献 | Ret Recognition of Gdnf-Gfralpha1 Ligand by a Composite Binding Site Promotes Membrane-Proximal Self-Association. Cell Rep., 8, 2014
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5OWM
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7B3C
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![BU of 7b3c by Molmil](/molmil-images/mine/7b3c) | Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2) | 分子名称: | DNA/RNA (5'-R(P*CP*UP*AP*CP*GP*CP*A)-D(P*(RMP))-R(P*GP*UP*G)-3'), Non-structural protein 7, Non-structural protein 8, ... | 著者 | Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P. | 登録日 | 2020-11-30 | 公開日 | 2020-12-23 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Mechanism of SARS-CoV-2 polymerase stalling by remdesivir. Nat Commun, 12, 2021
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5OVZ
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![BU of 5ovz by Molmil](/molmil-images/mine/5ovz) | High resolution structure of the PBP NocT in complex with nopaline | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ... | 著者 | Vigouroux, A, Morera, S. | 登録日 | 2017-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
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7AK3
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![BU of 7ak3 by Molmil](/molmil-images/mine/7ak3) | CLK1 bound with CAF052 | 分子名称: | Dual specificity protein kinase CLK1, ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | 著者 | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-09-29 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3. Int J Mol Sci, 21, 2020
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7ANW
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![BU of 7anw by Molmil](/molmil-images/mine/7anw) | hSARM1 NAD+ complex | 分子名称: | NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Mim, C, Isupov, M.N, Zalk, R, Dessau, M, Hons, M, Opatowsky, Y. | 登録日 | 2020-10-13 | 公開日 | 2020-11-11 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | 主引用文献 | Structural basis for SARM1 inhibition and activation under energetic stress. Elife, 9, 2020
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4UT4
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![BU of 4ut4 by Molmil](/molmil-images/mine/4ut4) | Burkholderia pseudomallei heptokinase WcbL, D-mannose complex. | 分子名称: | CHLORIDE ION, PUTATIVE SUGAR KINASE, alpha-D-mannopyranose | 著者 | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | 登録日 | 2014-07-18 | 公開日 | 2016-01-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery. Chem.Biol., 22, 2015
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7B2R
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8F8E
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![BU of 8f8e by Molmil](/molmil-images/mine/8f8e) | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound | 分子名称: | (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1 | 著者 | Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | 登録日 | 2022-11-21 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound To be published
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7B88
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![BU of 7b88 by Molmil](/molmil-images/mine/7b88) | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | 分子名称: | 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | 著者 | Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-12 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics. J.Med.Chem., 64, 2021
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7B6I
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![BU of 7b6i by Molmil](/molmil-images/mine/7b6i) | Crystal structure of MurE from E.coli in complex with Z1373445602 | 分子名称: | 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, CITRIC ACID, ISOPROPYL ALCOHOL, ... | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.069 Å) | 主引用文献 | Crystal structure of MurE from E.coli To Be Published
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7ASU
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7AV8
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![BU of 7av8 by Molmil](/molmil-images/mine/7av8) | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 | 分子名称: | PH-interacting protein | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-04 | 公開日 | 2021-01-13 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 To Be Published
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7AWD
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![BU of 7awd by Molmil](/molmil-images/mine/7awd) | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with garcinoic acid | 分子名称: | (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, CITRIC ACID, GLYCEROL, ... | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-06 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Endogenous vitamin E metabolites mediate allosteric PPAR gamma activation with unprecedented co-regulatory interactions. Cell Chem Biol, 28, 2021
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7AH1
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![BU of 7ah1 by Molmil](/molmil-images/mine/7ah1) | L19 diabody fragment from immunocytokine L19-IL2 | 分子名称: | Anti-(ED-B) scFV | 著者 | Ongaro, T, Guarino, S.R, Scietti, L, Palamini, M, Wulhfard, S, Villa, A, Neri, D, Forneris, F. | 登録日 | 2020-09-23 | 公開日 | 2021-02-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inference of molecular structure for characterization and improvement of clinical grade immunocytokines. J.Struct.Biol., 213, 2021
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7AXZ
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![BU of 7axz by Molmil](/molmil-images/mine/7axz) | Ku70/80 complex apo form | 分子名称: | X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6 | 著者 | Hnizda, A, Tesina, P, Novak, P, Blundell, T.L. | 登録日 | 2020-11-10 | 公開日 | 2021-02-10 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | SAP domain forms a flexible part of DNA aperture in Ku70/80. Febs J., 288, 2021
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7B1R
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7AH4
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![BU of 7ah4 by Molmil](/molmil-images/mine/7ah4) | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363 | 分子名称: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | 登録日 | 2020-09-24 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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7AH6
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![BU of 7ah6 by Molmil](/molmil-images/mine/7ah6) | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0752 | 分子名称: | 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | 登録日 | 2020-09-24 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.998 Å) | 主引用文献 | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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7B0T
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![BU of 7b0t by Molmil](/molmil-images/mine/7b0t) | Crystal structure of MLLT1 YEATS domain T3 mutant in complex with benzimidazole-amide based compound 1 | 分子名称: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | 著者 | Ni, X, Chaikuad, A, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-21 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants. Acs Chem.Biol., 16, 2021
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7B10
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![BU of 7b10 by Molmil](/molmil-images/mine/7b10) | Crystal structure of MLLT1 YEATS domain T1 mutant in complex with benzimidazole-amide based compound 1 | 分子名称: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, IODIDE ION, ... | 著者 | Chaikuad, A, Ni, X, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-11-23 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants. Acs Chem.Biol., 16, 2021
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7AH5
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![BU of 7ah5 by Molmil](/molmil-images/mine/7ah5) | Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0706 | 分子名称: | 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | 登録日 | 2020-09-24 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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7B51
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![BU of 7b51 by Molmil](/molmil-images/mine/7b51) | Crystal structure of human CRM1 covalently modified by 2-mercaptoethanol at Cys528 | 分子名称: | BETA-MERCAPTOETHANOL, Exportin-1, GTP-binding nuclear protein Ran, ... | 著者 | Shaikhqasem, A, Ficner, R. | 登録日 | 2020-12-03 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Crystal structure of human CRM1, covalently modified by 2-mercaptoethanol on Cys528, in complex with RanGTP. Acta Crystallogr.,Sect.F, 77, 2021
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