5LRY
 
 | | E coli [NiFe] Hydrogenase Hyd-1 mutant E28D | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | | 登録日 | 2016-08-22 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J.Am.Chem.Soc., 140, 2018
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6OWW
 | | Crystal structure of a Human Cardiac Calsequestrin Filament Complexed with Ytterbium | | 分子名称: | Calsequestrin-2, SULFATE ION, YTTERBIUM (III) ION | | 著者 | Titus, E.W, Deiter, F.H, Shi, C, Jura, N, Deo, R.C. | | 登録日 | 2019-05-12 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.84 Å) | | 主引用文献 | The structure of a calsequestrin filament reveals mechanisms of familial arrhythmia.
Nat.Struct.Mol.Biol., 27, 2020
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4UJ6
 | | Structure of surface layer protein SbsC, domains 1-6 | | 分子名称: | SURFACE LAYER PROTEIN | | 著者 | Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W. | | 登録日 | 2015-04-08 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure of Surface Layer Protein Sbsc, Domains 1-6
To be Published
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5M4S
 | | Transcription factor TFIIA as a single chain protein | | 分子名称: | Transcription initiation factor IIA subunit 2,Transcription initiation factor IIA subunit 1,Transcription initiation factor IIA subunit 1 | | 著者 | Kandiah, E, Gupta, K. | | 登録日 | 2016-10-19 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Architecture of TAF11/TAF13/TBP complex suggests novel regulation properties of general transcription factor TFIID.
Elife, 6, 2017
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4UHY
 | | Crystal structure of the human RGMA-BMP2 complex | | 分子名称: | BONE MORPHOGENETIC PROTEIN 2, REPULSIVE GUIDANCE MOLECULE A | | 著者 | Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C. | | 登録日 | 2015-03-27 | | 公開日 | 2015-05-06 | | 最終更新日 | 2015-06-17 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
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7N9X
 | | CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions | | 分子名称: | Capsid protein, Nanobody, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Gerber, E.E, Digianantonio, K.M, Tripler, T.N, Smaga, S.S, Summers, B.J, Xiong, Y. | | 登録日 | 2021-06-18 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.511 Å) | | 主引用文献 | CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
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7AJF
 | | bovine ATP synthase dimer state2:state2 | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ... | | 著者 | Spikes, T.E, Montgomery, M.G, Walker, J.E. | | 登録日 | 2020-09-29 | | 公開日 | 2021-02-03 | | 最終更新日 | 2021-02-24 | | 実験手法 | ELECTRON MICROSCOPY (8.45 Å) | | 主引用文献 | Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6YM0
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | | 分子名称: | Spike glycoprotein, heavy chain, light chain | | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | | 登録日 | 2020-04-07 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (4.36 Å) | | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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7Q3P
 | | Crystal structure of IgG1-Fc-MST-HN (efgartigimod) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 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, ... | | 著者 | Pannecoucke, E, Savvides, S.N. | | 登録日 | 2021-10-28 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Fab region of IgG impairs the internalization pathway of FcRn upon Fc engagement.
Nat Commun, 13, 2022
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6S4A
 | | Structure of human MTHFD2 in complex with TH9028 | | 分子名称: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | 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 (1.95 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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4UCT
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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7SN4
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1B72
 | | PBX1, HOMEOBOX PROTEIN HOX-B1/DNA TERNARY COMPLEX | | 分子名称: | DNA (5'-D(*AP*CP*TP*CP*TP*AP*TP*GP*AP*TP*TP*GP*AP*TP*CP*GP*GP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*CP*CP*GP*AP*TP*CP*AP*AP*TP*CP*AP*TP*AP*GP*AP*G)-3'), PROTEIN (HOMEOBOX PROTEIN HOX-B1), ... | | 著者 | Piper, D.E, Batchelor, A.H, Chang, C.-P, Cleary, M.L, Wolberger, C. | | 登録日 | 1999-01-27 | | 公開日 | 1999-02-19 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure of a HoxB1-Pbx1 heterodimer bound to DNA: role of the hexapeptide and a fourth homeodomain helix in complex formation.
Cell(Cambridge,Mass.), 96, 1999
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7AVY
 | | MerTK kinase domain in complex with quinazoline-based inhbitor | | 分子名称: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7SN7
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4UCV
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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7SN9
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7AVX
 | | MerTK kinase domain in complex with NPS-1034 | | 分子名称: | 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7NTH
 | | Structure of TAK1 in complex with compound 54 | | 分子名称: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | 登録日 | 2021-03-09 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7AW4
 | | MerTK kinase domain with type 3 inhibitor from a DNA-encoded library | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ... | | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7NTI
 | | Structure of TAK1 in complex with compound 22 | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | 登録日 | 2021-03-09 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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5MH3
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4UMV
 | | CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE | | 分子名称: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE | | 著者 | Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P. | | 登録日 | 2014-05-21 | | 公開日 | 2014-08-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
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6UXN
 | | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine | | 分子名称: | Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | | 著者 | Cowan, A.D, Colman, P.M, Czabotar, P.E. | | 登録日 | 2019-11-07 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
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