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5QIK
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
分子名称: GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
3P7J
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BU of 3p7j by Molmil
Drosophila HP1a chromo shadow domain
分子名称: GLYCEROL, Heterochromatin protein 1
著者Kim, D, Chruszcz, M, Minor, W, Khorasanizadeh, S.
登録日2010-10-12
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The HP1a Disordered C Terminus and Chromo Shadow Domain Cooperate to Select Target Peptide Partners.
Chembiochem, 12, 2011
3P4S
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BU of 3p4s by Molmil
Crystal structure of Menaquinol:fumarate oxidoreductase in complex with a 3-nitropropionate adduct
分子名称: 3-NITROPROPANOIC ACID, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Tomasiak, T.M, Archuleta, T.L, Andrell, J, Luna-Chavez, C, Davis, T.A, Sarwar, M, Ham, A.J, McDonald, W.H, Yankowskaya, V, Stern, H.A, Johnston, J.N, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2010-10-07
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase.
J.Biol.Chem., 286, 2011
4EPV
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BU of 4epv by Molmil
Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation
分子名称: 2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
1TNP
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BU of 1tnp by Molmil
STRUCTURES OF THE APO AND CALCIUM TROPONIN-C REGULATORY DOMAINS: THE MUSCLE CONTRACTION SWITCH
分子名称: TROPONIN-C (APO)
著者Gagne, S.M, Sykes, B.D.
登録日1995-07-07
公開日1995-10-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structures of the troponin C regulatory domains in the apo and calcium-saturated states.
Nat.Struct.Biol., 2, 1995
2OC2
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BU of 2oc2 by Molmil
Structure of testis ACE with RXPA380
分子名称: Angiotensin-converting enzyme, somatic isoform, CHLORIDE ION, ...
著者Corradi, H.R, Anthony, C.S, Schwager, S.L, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D.
登録日2006-12-20
公開日2007-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The structure of testis angiotensin-converting enzyme in complex with the C domain-specific inhibitor RXPA380.
Biochemistry, 46, 2007
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK6
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Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
1TEC
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BU of 1tec by Molmil
CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C
分子名称: CALCIUM ION, EGLIN C, SODIUM ION, ...
著者Gros, P, Dijkstra, B.W, Hol, W.G.J.
登録日1989-05-24
公開日1989-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic refinement by incorporation of molecular dynamics: thermostable serine protease thermitase complexed with eglin c.
Acta Crystallogr.,Sect.B, 45, 1989
4F4X
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BU of 4f4x by Molmil
Y-family DNA polymerase chimera Dbh-Dpo4-Dpo4 #2
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*GP*GP*GP*C)-3'), ...
著者Pata, J.D, Wilson, R.C.
登録日2012-05-11
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
5OGI
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BU of 5ogi by Molmil
Complex of a binding protein and human adenovirus C 5 hexon
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A.
登録日2017-07-13
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
4F4W
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BU of 4f4w by Molmil
Y-family DNA polymerase chimera Dbh-Dpo4-Dpo4 #1
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*GP*GP*C)-3'), ...
著者Pata, J.D, Wilson, R.C.
登録日2012-05-11
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
1PIC
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BU of 1pic by Molmil
PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, NMR, MINIMIZED MEAN STRUCTURE
分子名称: BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR, PHOSPHATIDYLINOSITOL 3-KINASE
著者Breeze, A.L, Kara, B.V, Barratt, D.G, Anderson, M, Smith, J.C, Luke, R.W, Best, J.R, Cartlidge, S.A.
登録日1997-06-23
公開日1997-09-17
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Structure of a specific peptide complex of the carboxy-terminal SH2 domain from the p85 alpha subunit of phosphatidylinositol 3-kinase.
EMBO J., 15, 1996
1CTF
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BU of 1ctf by Molmil
STRUCTURE OF THE C-TERMINAL DOMAIN OF THE RIBOSOMAL PROTEIN L7/L12 FROM ESCHERICHIA COLI AT 1.7 ANGSTROMS
分子名称: RIBOSOMAL PROTEIN L7/L12, SULFATE ION
著者Leijonmarck, M, Liljas, A.
登録日1986-09-02
公開日1987-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the C-terminal domain of the ribosomal protein L7/L12 from Escherichia coli at 1.7 A.
J.Mol.Biol., 195, 1987
1CMQ
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BU of 1cmq by Molmil
SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Fitzgerald, M.M, Mcree, D.E, Churchill, M.J, Goodin, D.B.
登録日1993-11-23
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase.
Biochemistry, 33, 1994
3SGD
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BU of 3sgd by Molmil
Crystal structure of the mouse mAb 17.2
分子名称: CALCIUM ION, Heavy Chain, Light Chain
著者Pizarro, J.C, Boulot, G, Hontebeyrie, M, Bentley, G.A.
登録日2011-06-14
公開日2011-11-09
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of the complex mAb 17.2 and the C-terminal region of Trypanosoma cruzi P2 Beta protein: implications in cross-reactivity
Plos Negl Trop Dis, 5, 2011
1UKK
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BU of 1ukk by Molmil
Structure of Osmotically Inducible Protein C from Thermus thermophilus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Osmotically Inducible Protein C
著者Rehse, P.H, Kuramitsu, S, Yokoyama, S, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-08-24
公開日2004-05-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic Structure and Biochemical Analysis of the Thermus thermophilus Osmotically Inducible Protein C
J.MOL.BIOL., 338, 2004
2PLE
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BU of 2ple by Molmil
NUCLEAR MAGNETIC RESONANCE STRUCTURE OF AN SH2 DOMAIN OF PHOSPHOLIPASE C-GAMMA1 COMPLEXED WITH A HIGH AFFINITY BINDING PEPTIDE
分子名称: PHOSPHOLIPASE C GAMMA-1, C-TERMINAL SH2 DOMAIN, PHOSPHOPEPTIDE FROM PDGF
著者Pascal, S.M, Singer, A.U, Gish, G, Yamazaki, T, Shoelson, S.E, Pawson, T, Kay, L.E, Forman-Kay, J.D.
登録日1994-08-19
公開日1995-01-26
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure of an SH2 domain of phospholipase C-gamma 1 complexed with a high affinity binding peptide.
Cell(Cambridge,Mass.), 77, 1994
1CMP
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BU of 1cmp by Molmil
SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE
分子名称: 2,3-DIMETHYLIMIDAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Fitzgerald, M.M, Mcree, D.E, Churchill, M.J, Goodin, D.B.
登録日1993-11-23
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase.
Biochemistry, 33, 1994
2Q5Y
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BU of 2q5y by Molmil
Crystal Structure of the C-terminal domain of hNup98
分子名称: Nuclear pore complex protein Nup96, Nuclear pore complex protein Nup98
著者Sun, Y, Guo, H.C.
登録日2007-06-03
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural constraints on autoprocessing of the human nucleoporin Nup98.
Protein Sci., 17, 2008
2BNW
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BU of 2bnw by Molmil
Structural basis for cooperative binding of Ribbon-Helix-Helix Omega repressor to direct DNA heptad repeats
分子名称: 5'-D(*CP*TP*TP*GP*TP*GP*AP*TP*TP*TP *GP*TP*GP*AP*TP*TP*CP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*AP *TP*CP*AP*CP*AP*AP*GP*C)-3', ORF OMEGA
著者Weihofen, W.A, Cicek, A, Pratto, F, Alonso, J.C, Saenger, W.
登録日2005-04-05
公開日2006-03-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription.
Nucleic Acids Res., 34, 2006
4K08
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BU of 4k08 by Molmil
Periplasmic sensor domain of chemotaxis protein, Adeh_3718
分子名称: ACETATE ION, Methyl-accepting chemotaxis sensory transducer, ZINC ION
著者Pokkuluri, P.R, Mack, J.C, Bearden, J, Rakowski, E, Schiffer, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-04-03
公開日2013-07-17
最終更新日2015-04-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of periplasmic sensor domains from Anaeromyxobacter dehalogenans 2CP-C: structure of one sensor domain from a histidine kinase and another from a chemotaxis protein.
Microbiologyopen, 2, 2013
3PA8
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Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor
分子名称: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide, ...
著者Lupardus, P.J, Garcia, K.C.
登録日2010-10-18
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of inhibitors and activity-based probes targeting Clostridium difficile virulence factor TcdB.
Chem.Biol., 17, 2010
1A2I
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BU of 1a2i by Molmil
SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS (HILDENBOROUGH) FERROCYTOCHROME C3, NMR, 20 STRUCTURES
分子名称: CYTOCHROME C3, HEME C
著者Messias, A.C, Kastrau, D.H.K, Costa, H.S, Legall, J, Turner, D.L, Santos, H, Xavier, A.V.
登録日1998-01-05
公開日1998-07-08
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of Desulfovibrio vulgaris (Hildenborough) ferrocytochrome c3: structural basis for functional cooperativity.
J.Mol.Biol., 281, 1998
2PLD
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BU of 2pld by Molmil
NUCLEAR MAGNETIC RESONANCE STRUCTURE OF AN SH2 DOMAIN OF PHOSPHOLIPASE C-GAMMA1 COMPLEXED WITH A HIGH AFFINITY BINDING PEPTIDE
分子名称: PHOSPHOLIPASE C GAMMA-1, C-TERMINAL SH2 DOMAIN, PHOSPHOPEPTIDE FROM PDGF
著者Pascal, S.M, Singer, A.U, Gish, G, Yamazaki, T, Shoelson, S.E, Pawson, T, Kay, L.E, Forman-Kay, J.D.
登録日1994-08-19
公開日1995-01-26
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure of an SH2 domain of phospholipase C-gamma 1 complexed with a high affinity binding peptide.
Cell(Cambridge,Mass.), 77, 1994

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