6UZO
 
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6S4F
 | | Structure of human MTHFD2 in complex with TH9619 | | 分子名称: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | 著者 | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | 登録日 | 2019-06-27 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6S4E
 | | Structure of human MTHFD2 in complex with TH7299 | | 分子名称: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | 著者 | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | 登録日 | 2019-06-27 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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5KMD
 | | Structure of CavAb in complex with amlodipine | | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | | 著者 | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | | 登録日 | 2016-06-26 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
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5XMD
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4YJU
 | | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249 | | 分子名称: | N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | | 著者 | Somers, D.O, Neu, M, Stuckey, J. | | 登録日 | 2015-03-03 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
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5XQY
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7RLE
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5CDP
 | | 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | | 分子名称: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | | 著者 | Bax, B.D, Srikannathasan, V, Chan, P.F. | | 登録日 | 2015-07-04 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
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6I3S
 | | Crystal structure of MDM2 in complex with compound 13. | | 分子名称: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | 著者 | Bader, G, Kessler, D. | | 登録日 | 2018-11-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors.
ChemMedChem, 14, 2019
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5UGP
 | | DNA polymerase beta complex with a 1nt gap and dCMPPNP | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | | 著者 | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | 登録日 | 2017-01-09 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.955 Å) | | 主引用文献 | Modulating the DNA polymerase beta reaction equilibrium to dissect the reverse reaction.
Nat. Chem. Biol., 13, 2017
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6F0R
 | | GLIC mutant E82Q | | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | 著者 | Hu, H.D, Delarue, M. | | 登録日 | 2017-11-20 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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6UWD
 | | Crystal structure of Apo AtmM | | 分子名称: | ACETATE ION, D-glucose O-methyltransferase, MAGNESIUM ION | | 著者 | Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N. | | 登録日 | 2019-11-05 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structure of Apo AtmM
To Be Published
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3L7C
 | | Crystal Structure of Glycogen Phosphorylase DK4 complex | | 分子名称: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | 著者 | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | | 登録日 | 2009-12-28 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
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4Y64
 | | AAGlyB in complex with amino-acid analogues | | 分子名称: | 5'-(D-alanylamino)-5'-deoxyuridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | 著者 | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | 登録日 | 2015-02-12 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
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8E3W
 | | BRD4-D1 in complex with BET inhibitor | | 分子名称: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | | 登録日 | 2022-08-17 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
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5J3R
 | | Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe-2S] cluster | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, GLUTATHIONE, Monothiol glutaredoxin-6 | | 著者 | Abdalla, M, Dai, Y.-N, Chi, C.-B, Cheng, W, Cao, D.-D, Zhou, K, Ali, W, Chen, Y, Zhou, C.-Z. | | 登録日 | 2016-03-31 | | 公開日 | 2016-10-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe-2S] cluster
Acta Crystallogr.,Sect.F, 72, 2016
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5GS5
 | | Crystal structure of apo rat STING | | 分子名称: | SULFATE ION, Stimulator of interferon genes protein | | 著者 | Zhang, H, Han, M.J, Tao, J.L, Ye, Z.Y, Du, X.X, Deng, M.J, Zhang, X.Y, Li, L.F, Jiang, Z.F, Su, X.D. | | 登録日 | 2016-08-13 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystal structure of apo ratSTING
To Be Published
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6V5N
 | | EGFR(T790M/V948R) in complex with LN2084 | | 分子名称: | 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol, CHLORIDE ION, Epidermal growth factor receptor | | 著者 | Heppner, D.E, Eck, M.J. | | 登録日 | 2019-12-04 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
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4DQO
 | | Crystal Structure of PG16 Fab in Complex with V1V2 Region from HIV-1 strain ZM109 | | 分子名称: | 1FD6-V1V2 scaffold ZM109 HIV-1 strain, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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, PG16 Fab Heavy Chain, ... | | 著者 | Pancera, M, McLellan, J.S, Kwong, P.D. | | 登録日 | 2012-02-16 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.438 Å) | | 主引用文献 | Structural basis for diverse N-glycan recognition by HIV-1-neutralizing V1-V2-directed antibody PG16.
Nat.Struct.Mol.Biol., 20, 2013
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6I7T
 | | eIF2B:eIF2 complex | | 分子名称: | Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ... | | 著者 | Adomavicius, T, Guaita, M, Roseman, A.M, Pavitt, G.D. | | 登録日 | 2018-11-17 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.61 Å) | | 主引用文献 | The structural basis of translational control by eIF2 phosphorylation.
Nat Commun, 10, 2019
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7RHO
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1N7Q
 | | Streptococcus pneumoniae Hyaluronate Lyase W291A/W292A Double Mutant complex with hyaluronan hexasacchride | | 分子名称: | HYALURONIDASE, beta-D-galactopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Nukui, M, Taylor, K.B, McPherson, D.T, Shigenaga, M, Jedrzejas, M.J. | | 登録日 | 2002-11-16 | | 公開日 | 2002-12-31 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The function of hydrophobic residues in the catalytic cleft of Streptococcus
pneumoniae hyaluronate lyase. Kinetic characterization of mutant enzyme forms
J.Biol.Chem., 278, 2003
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6IB0
 | | The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 3a | | 分子名称: | 1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one, Dual specificity mitogen-activated protein kinase kinase 7, TETRAETHYLENE GLYCOL | | 著者 | Wolle, P, Hardick, J, Mueller, M.P, Rauh, D. | | 登録日 | 2018-11-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors.
J.Med.Chem., 62, 2019
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5UGN
 | | DNA polymerase beta imidodiphosphate reactant complex | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | 著者 | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | 登録日 | 2017-01-09 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Modulating the DNA polymerase beta reaction equilibrium to dissect the reverse reaction.
Nat. Chem. Biol., 13, 2017
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