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3MCI
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BU of 3mci by Molmil
Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Molybdenum cofactor biosynthesis MOG
著者Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-03-29
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
5IAB
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BU of 5iab by Molmil
Caspase 3 V266D
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IBP
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BU of 5ibp by Molmil
Caspase 3 V266M
分子名称: ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IAJ
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BU of 5iaj by Molmil
Caspase 3 V266L
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
7YM1
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BU of 7ym1 by Molmil
Structure of SsbA protein in complex with the anticancer drug 5-fluorouracil
分子名称: 5-FLUOROURACIL, GLYCEROL, Single-stranded DNA-binding protein
著者Huang, Y.H, Yang, P.C, Chiang, W.Y, Lin, E.S, Huang, C.Y.
登録日2022-07-27
公開日2023-08-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil.
Int J Mol Sci, 24, 2023
3DCI
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BU of 3dci by Molmil
The Structure of a putative arylesterase from Agrobacterium tumefaciens str. C58
分子名称: ACETIC ACID, Arylesterase, CHLORIDE ION, ...
著者Cuff, M.E, Xu, X, Zheng, H, Binkowski, T.A, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-06-03
公開日2008-09-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of a putative arylesterase from Agrobacterium tumefaciens str. C58
TO BE PUBLISHED
3DDQ
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BU of 3ddq by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine
分子名称: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ...
著者Echalier, A, Endicott, J.A.
登録日2008-06-06
公開日2008-07-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3DDP
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BU of 3ddp by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8
分子名称: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2
著者Echalier, A, Endicott, J.A.
登録日2008-06-06
公開日2008-07-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
2BTC
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BU of 2btc by Molmil
BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II)
分子名称: CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN)
著者Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O.
登録日1998-12-11
公開日2000-01-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
8RGQ
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BU of 8rgq by Molmil
Open Complex I from murine liver
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
8RGP
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Closed Complex I from murine brain
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
8RGR
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Closed Complex I from murine liver
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
7F16
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BU of 7f16 by Molmil
Cryo-EM structure of parathyroid hormone receptor type 2 in complex with a tuberoinfundibular peptide of 39 residues and G protein
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, X, Cheng, X, Zhao, L.H, Wang, Y, Ye, C, Zou, X, Dai, A, Cong, Z, Chen, J, Zhou, Q, Xia, T, Jiang, H, Xu, H.E, Yang, D, Wang, M.W.
登録日2021-06-08
公開日2021-08-18
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular insights into differentiated ligand recognition of the human parathyroid hormone receptor 2.
Proc.Natl.Acad.Sci.USA, 118, 2021
8RGT
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BU of 8rgt by Molmil
Open Complex I from murine brain
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-12-14
公開日2024-04-24
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
7FBP
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BU of 7fbp by Molmil
FXIIa-cMCoFx1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1
著者Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K.
登録日2021-07-12
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
2BRC
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BU of 2brc by Molmil
Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.
分子名称: 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2005-05-04
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 15, 2005
2BRE
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BU of 2bre by Molmil
STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.
分子名称: 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2005-05-04
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 15, 2005
4WCI
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BU of 4wci by Molmil
Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3
分子名称: CD2-associated protein, Ras and Rab interactor 3, SULFATE ION
著者Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
登録日2014-09-04
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
8RO0
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BU of 8ro0 by Molmil
Structure of the C. elegans Intron Lariat Spliceosome primed for disassembly (ILS')
分子名称: Cell division cycle 5-like protein, Coiled-coil domain-containing protein 12, GCF C-terminal domain-containing protein, ...
著者Vorlaender, M.K, Rothe, P, Plaschka, C.
登録日2024-01-11
公開日2024-08-07
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
8RO1
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Structure of the C. elegans Intron Lariat Spliceosome double-primed for disassembly (ILS'')
分子名称: CWF19-like protein 1 homolog, CWF19-like protein 2 homolog, Cell division cycle 5-like protein, ...
著者Vorlaender, M.K, Rothe, P, Plaschka, C.
登録日2024-01-11
公開日2024-08-07
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
8RO2
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Integrative Structure of the human intron lariat Spliceosome (ILS'')
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ATP-dependent RNA helicase DHX15, CWF19-like protein 1, ...
著者Rothe, P, Vorlaender, M.K, Plaschka, C.
登録日2024-01-11
公開日2024-09-18
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
4WFH
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BU of 4wfh by Molmil
Human TRAAK K+ channel in a Tl+ bound nonconductive conformation
分子名称: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
著者Brohawn, S.G, MacKinnon, R.
登録日2014-09-15
公開日2014-12-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
4WFE
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Human TRAAK K+ channel in a K+ bound conductive conformation
分子名称: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
著者Brohawn, S.G, MacKinnon, R.
登録日2014-09-15
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
4WFG
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BU of 4wfg by Molmil
Human TRAAK K+ channel in a Tl+ bound conductive conformation
分子名称: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
著者Brohawn, S.G, MacKinnon, R.
登録日2014-09-15
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
5NGQ
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BU of 5ngq by Molmil
Bicyclic antimicrobial peptides
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-PRO-ALD-CYS-TYD-ALA-CYD-LYS-ALA, ...
著者Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L.
登録日2017-03-20
公開日2017-08-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017

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