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2X39
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Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB
分子名称: 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE
著者Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I.
登録日2010-01-22
公開日2010-02-23
最終更新日2011-09-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt).
J.Med.Chem., 53, 2010
2WIP
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BU of 2wip by Molmil
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
分子名称: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ...
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2009-05-14
公開日2009-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 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
2XH5
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Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB
分子名称: 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE
著者Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I.
登録日2010-06-09
公開日2010-06-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt).
J.Med.Chem., 53, 2010
2ER9
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X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
分子名称: ENDOTHIAPEPSIN, L363,564
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2VIM
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BU of 2vim by Molmil
X-ray structure of Fasciola hepatica thioredoxin
分子名称: THIOREDOXIN
著者Line, K, Isupov, M.N, Garcia-Rodriguez, E, Maggioli, G, Parra, F, Littlechild, J.A.
登録日2007-12-05
公開日2008-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The Fasciola Hepatica Thioredoxin: High Resolution Structure Reveals Two Oxidation States.
Mol.Biochem.Parasitol., 161, 2008
2ER7
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BU of 2er7 by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION
分子名称: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
著者Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-11-12
公開日1991-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
2ER6
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BU of 2er6 by Molmil
The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
分子名称: ENDOTHIAPEPSIN, H-256 peptide
著者Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
登録日1990-10-13
公開日1991-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
2ER0
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BU of 2er0 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
分子名称: ENDOTHIAPEPSIN, L364,099
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ERM
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BU of 2erm by Molmil
Solution structure of a biologically active human FGF-1 monomer, complexed to a hexasaccharide heparin-analogue
分子名称: 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, ISOPROPYL ALCOHOL
著者Canales, A, Lozano, R, Nieto, P.M, Martin-Lomas, M, Gimenez-Gallego, G, Jimenez-Barbero, J.
登録日2005-10-25
公開日2006-10-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a human FGF-1 monomer, activated by a hexasaccharide heparin-analogue.
Febs J., 273, 2006
1OMU
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BU of 1omu by Molmil
SOLUTION STRUCTURE OF OVOMUCOID (THIRD DOMAIN) FROM DOMESTIC TURKEY (298K, PH 4.1) (NMR, 50 STRUCTURES) (REFINED MODEL USING NETWORK EDITING ANALYSIS)
分子名称: OVOMUCOID (THIRD DOMAIN)
著者Hoogstraten, C.G, Choe, S, Westler, W.M, Markley, J.L.
登録日1995-10-11
公開日1996-03-08
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Comparison of the accuracy of protein solution structures derived from conventional and network-edited NOESY data.
Protein Sci., 4, 1995
1OMT
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BU of 1omt by Molmil
SOLUTION STRUCTURE OF OVOMUCOID (THIRD DOMAIN) FROM DOMESTIC TURKEY (298K, PH 4.1) (NMR, 50 STRUCTURES) (STANDARD NOESY ANALYSIS)
分子名称: OVOMUCOID (THIRD DOMAIN)
著者Hoogstraten, C.G, Choe, S, Westler, W.M, Markley, J.L.
登録日1995-10-11
公開日1996-03-08
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Comparison of the accuracy of protein solution structures derived from conventional and network-edited NOESY data.
Protein Sci., 4, 1995
1PDG
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BU of 1pdg by Molmil
CRYSTAL STRUCTURE OF HUMAN PLATELET-DERIVED GROWTH FACTOR BB
分子名称: PLATELET-DERIVED GROWTH FACTOR BB
著者Oefner, C, Darcy, A.D, Winkler, F.K, Eggimann, B, Hosnag, M.
登録日1992-07-14
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human platelet-derived growth factor BB.
EMBO J., 11, 1992
5C9C
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BU of 5c9c by Molmil
CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND
分子名称: 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Edwards, T, Abendroth, J, Chun, L.
登録日2015-06-26
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28, 2015
5CE5
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BU of 5ce5 by Molmil
Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, CALCIUM ION, ...
著者Sezerman, O.U, Podjarny, A.D, Emel, T, Cousido-Siah, A, Mitschler, A.
登録日2015-07-06
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5.
Proteins, 84, 2016
1OPF
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BU of 1opf by Molmil
THE STRUCTURE OF OMPF PORIN IN A TETRAGONAL CRYSTAL FORM
分子名称: MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Cowan, S.W, Schirmer, T, Pauptit, R.A, Jansonius, J.N.
登録日1994-11-21
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structure of OmpF porin in a tetragonal crystal form.
Structure, 3, 1995
5CE4
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BU of 5ce4 by Molmil
High Resolution X-Ray and Neutron diffraction structure of H-FABP
分子名称: Fatty acid-binding protein, heart, OLEIC ACID
著者Podjarny, A.D, Howard, E.I, Blakeley, M.P, Guillot, B.
登録日2015-07-06
公開日2016-03-09
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION
主引用文献High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution.
Iucrj, 3, 2016
5CPV
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BU of 5cpv by Molmil
RESTRAINED LEAST SQUARES REFINEMENT OF NATIVE (CALCIUM) AND CADMIUM-SUBSTITUTED CARP PARVALBUMIN USING X-RAY CRYSTALLOGRAPHIC DATA AT 1.6-ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, CALCIUM-BINDING PARVALBUMIN B
著者Swain, A.L, Kretsinger, R.H, Amma, E.L.
登録日1990-01-24
公開日1990-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Restrained least squares refinement of native (calcium) and cadmium-substituted carp parvalbumin using X-ray crystallographic data at 1.6-A resolution.
J.Biol.Chem., 264, 1989
1OBT
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BU of 1obt by Molmil
STRUCTURE OF RICIN A CHAIN MUTANT, COMPLEX WITH AMP
分子名称: ADENOSINE MONOPHOSPHATE, RICIN A CHAIN
著者Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D.
登録日1996-06-22
公開日1997-06-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and activity of an active site substitution of ricin A chain.
Biochemistry, 35, 1996
1OBS
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BU of 1obs by Molmil
STRUCTURE OF RICIN A CHAIN MUTANT
分子名称: RICIN A CHAIN
著者Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D.
登録日1996-06-25
公開日1997-06-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and activity of an active site substitution of ricin A chain.
Biochemistry, 35, 1996
1PHO
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BU of 1pho by Molmil
CRYSTAL STRUCTURES EXPLAIN FUNCTIONAL PROPERTIES OF TWO E. COLI PORINS
分子名称: PHOSPHOPORIN
著者Schirmer, T, Cowan, S.W, Jansonius, J.N.
登録日1993-01-15
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures explain functional properties of two E. coli porins.
Nature, 358, 1992
1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
分子名称: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
著者Whitlow, M.
登録日1999-04-28
公開日2000-04-29
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1QQL
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THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7/1 CHIMERA
分子名称: FIBROBLAST GROWTH FACTOR 7/1 CHIMERA
著者Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
登録日1999-06-07
公開日2000-01-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
1QQK
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THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7 (KERATINOCYTE GROWTH FACTOR)
分子名称: FIBROBLAST GROWTH FACTOR 7
著者Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
登録日1999-06-07
公開日2000-01-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
5DY9
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Y68T Hfq from Methanococcus jannaschii in complex with AMP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
著者Nikulin, A.D, Mikhailina, A.O, Lekontseva, N.V, Balobanov, V.A, Nikonova, E.Y, Tishchenko, S.V.
登録日2015-09-24
公開日2016-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii.
J. Biomol. Struct. Dyn., 35, 2017
7SND
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Pacifastin related protease inhibitors
分子名称: GLYCEROL, PHOSPHATE ION, Pacifastin-related peptide
著者Gewe, M.M, Strong, R.K.
登録日2021-10-27
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022

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