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2WIH
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BU of 2wih by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
著者Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
登録日2009-05-13
公開日2009-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
2WYG
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BU of 2wyg by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs
分子名称: (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN
著者Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J.
登録日2009-11-16
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
2WYJ
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BU of 2wyj by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs
分子名称: (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN
著者Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J.
登録日2009-11-16
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
2VS8
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BU of 2vs8 by Molmil
The crystal structure of I-DmoI in complex with DNA and Mn
分子名称: 5'-D(*CP*CP*GP*GP*CP*AP*AP* GP*GP*CP)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP *CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP *GP*TP*AP*A)-3', ...
著者Marcaida, M.J, Prieto, J, Redondo, P, Nadra, A.D, Alibes, A, Serrano, L, Grizot, S, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G.
登録日2008-04-21
公開日2008-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of I-Dmoi in Complex with its Target DNA Provides New Insights Into Meganuclease Engineering.
Proc.Natl.Acad.Sci.USA, 105, 2008
2VWE
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BU of 2vwe by Molmil
Crystal Structure of Vascular Endothelial Growth Factor-B in Complex with a Neutralizing Antibody Fab Fragment
分子名称: ANTI-VEGF-B MONOCLONAL ANTIBODY, VASCULAR ENDOTHELIAL GROWTH FACTOR B
著者Leonard, P, Scotney, P.D, Jabeen, T, Iyer, S, Fabri, L.J, Nash, A.D, Acharya, K.R.
登録日2008-06-23
公開日2008-11-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal Structure of Vascular Endothelial Growth Factor-B in Complex with a Neutralising Antibody Fab Fragment.
J.Mol.Biol., 384, 2008
1PB3
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BU of 1pb3 by Molmil
Sites of binding and orientation in a four location model for protein stereospecificity.
分子名称: GLYCEROL, Isocitrate dehydrogenase [NADP], SULFATE ION
著者Mesecar, A.D, Koshland Jr, D.E.
登録日2003-05-14
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Sites of Binding and Orientation in a Four-Location Model for Protein Stereospecificity.
IUBMB Life, 49, 2000
1PSZ
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BU of 1psz by Molmil
PNEUMOCOCCAL SURFACE ANTIGEN PSAA
分子名称: PROTEIN (SURFACE ANTIGEN PSAA), ZINC ION
著者Lawrence, M.C, Pilling, P.A, Epa, V.C, Berry, A.M, Ogunniyi, A.D, Paton, J.C.
登録日1998-10-13
公開日2000-04-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of pneumococcal surface antigen PsaA reveals a metal-binding site and a novel structure for a putative ABC-type binding protein.
Structure, 6, 1998
1PV0
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BU of 1pv0 by Molmil
Structure of the Sda antikinase
分子名称: Sda
著者Rowland, S.L, Burkholder, W.F, Maciejewski, M.W, Grossman, A.D, King, G.F.
登録日2003-06-26
公開日2004-04-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and mechanism of Sda: an inhibitor of the histidine kinases that regulate initiation of sporulation in Bacillus subtilis
Mol.Cell, 13, 2004
1RKD
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BU of 1rkd by Molmil
E. COLI RIBOKINASE COMPLEXED WITH RIBOSE AND ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, RIBOKINASE, ...
著者Sigrell, J.A, Cameron, A.D, Jones, T.A, Mowbray, S.L.
登録日1997-11-29
公開日1998-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure of Escherichia coli ribokinase in complex with ribose and dinucleotide determined to 1.8 A resolution: insights into a new family of kinase structures.
Structure, 6, 1998
5DQC
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BU of 5dqc by Molmil
Co-crystal of BACE1 with compound 0211
分子名称: Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D.
登録日2015-09-14
公開日2016-02-17
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.4651 Å)
主引用文献Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
1QIN
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BU of 1qin by Molmil
HUMAN GLYOXALASE I COMPLEXED WITH S-(N-HYDROXY-N-P-IODOPHENYLCARBAMOYL) GLUTATHIONE
分子名称: PROTEIN (LACTOYLGLUTATHIONE LYASE), S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE, ZINC ION
著者Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B.
登録日1999-06-14
公開日1999-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue.
Biochemistry, 38, 1999
1QIP
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BU of 1qip by Molmil
HUMAN GLYOXALASE I COMPLEXED WITH S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE
分子名称: BETA-MERCAPTOETHANOL, PROTEIN (LACTOYLGLUTATHIONE LYASE), S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE, ...
著者Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B.
登録日1999-06-14
公開日1999-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue.
Biochemistry, 38, 1999
1PB1
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BU of 1pb1 by Molmil
A four location model to explain the stereospecificity of proteins.
分子名称: GLYCEROL, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], ...
著者Mesecar, A.D, Koshland Jr, D.E.
登録日2003-05-14
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Biology: A New Model for Protein Stereospecificity.
Nature, 403, 2000
6SCT
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BU of 6sct by Molmil
Cryo-EM structure of the consensus triskelion hub of the clathrin coat complex
分子名称: Clathrin heavy chain, Clathrin light chain
著者Morris, K.L, Cameron, A.D, Sessions, R, Smith, C.J.
登録日2019-07-25
公開日2019-10-02
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.69 Å)
主引用文献Cryo-EM of multiple cage architectures reveals a universal mode of clathrin self-assembly.
Nat.Struct.Mol.Biol., 26, 2019
6TFL
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BU of 6tfl by Molmil
Lsm protein (SmAP) from Halobacterium salinarum
分子名称: CALCIUM ION, GLYCEROL, RNA-binding protein Lsm, ...
著者Nikulin, A.D, Fando, M.S, Lekontseva, N.V.
登録日2019-11-14
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Structure and RNA-Binding Properties of Lsm Protein from Halobacterium salinarum.
Biochemistry Mosc., 86, 2021
6TIW
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BU of 6tiw by Molmil
Human kinesin-5 motor domain in the GSK state bound to microtubules (Conformation 2)
分子名称: 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M.
登録日2019-11-22
公開日2020-03-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
6TA4
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Human kinesin-5 motor domain in the AMPPNP state bound to microtubules
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Pena, A.P, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M.
登録日2019-10-29
公開日2020-03-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
6T8S
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BU of 6t8s by Molmil
Structure of the major Type IV pilin PilA1 from Clostridium difficile
分子名称: Pilin
著者Crawshaw, A.D, Basle, A, Salgado, P.S.
登録日2019-10-24
公開日2020-03-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A practical overview of molecular replacement: Clostridioides difficile PilA1, a difficult case study.
Acta Crystallogr D Struct Biol, 76, 2020
6TA3
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BU of 6ta3 by Molmil
Human kinesin-5 motor domain in the GSK-1 state bound to microtubules (Conformation 1)
分子名称: 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M.
登録日2019-10-29
公開日2020-04-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
6RVW
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BU of 6rvw by Molmil
Structure of right-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges.
分子名称: GOLD ION, Transcription attenuation protein MtrB
著者Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G.
登録日2019-06-03
公開日2019-06-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
6U76
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BU of 6u76 by Molmil
Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens.
分子名称: methanesulfinate monooxygenase
著者Soule, J, Gnann, A.D, Parker, M.J, McKenna, K.C, Nguyen, S.V, Phan, N.T, Wicht, D.K, Dowling, D.P.
登録日2019-08-31
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献To be published
To Be Published
6UMX
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BU of 6umx by Molmil
Structural basis for specific inhibition of extracellular activation of pro/latent myostatin by SRK-015
分子名称: GL29H4-16 Fab Heavy Chain,GL29H4-16 Fab Heavy Chain, GL29H4-16 Fab Light Chain,GL29H4-16 Fab Light Chain, GLYCEROL, ...
著者Dagbay, K.B, Treece, E, Streich Jr, F.C, Jackson, J.W, Faucette, R.R, Nikiforov, A, Lin, S.C, Bostion, C.J, Nicholls, S.B, Capili, A.D, Carven, G.J.
登録日2019-10-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis of specific inhibition of extracellular activation of pro- or latent myostatin by the monoclonal antibody SRK-015.
J.Biol.Chem., 295, 2020
6UJ0
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BU of 6uj0 by Molmil
Unbound BACE2 mutant structure
分子名称: Beta-secretase 2, unidentified polypeptide
著者Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
登録日2019-10-01
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
1WD2
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Solution Structure of the C-terminal RING from a RING-IBR-RING (TRIAD) motif
分子名称: Ariadne-1 protein homolog, ZINC ION
著者Capili, A.D, Edghill, E.L, Wu, K, Borden, K.L.B.
登録日2004-05-11
公開日2004-07-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the C-terminal RING Finger from a RING-IBR-RING/TRIAD Motif Reveals a Novel Zinc-binding Domain Distinct from a RING
J.Mol.Biol., 340, 2004
1XYX
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mouse prion protein fragment 121-231
分子名称: Major prion protein
著者Gossert, A.D, Bonjour, S, Lysek, D.A, Fiorito, F, Wuthrich, K.
登録日2004-11-11
公開日2004-11-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Prion protein NMR structures of elk and of mouse/elk hybrids
Proc.Natl.Acad.Sci.USA, 102, 2005

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