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1YAN
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CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS
分子名称: LYSOZYME, SODIUM ION
著者Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K.
登録日1995-09-29
公開日1996-04-03
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants.
J.Mol.Biol., 254, 1995
2E8A
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Crystal structure of the human Hsp70 ATPase domain in complex with AMP-PNP
分子名称: Heat shock 70kDa protein 1A, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Shida, M, Ishii, R, Takagi, T, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-01-19
公開日2008-01-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state.
Acta Crystallogr.,Sect.D, 66, 2010
1Y8H
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HORSE METHEMOGLOBIN LOW SALT, PH 7.0
分子名称: Hemoglobin alpha chains, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Sankaranarayanan, R, Biswal, B.K, Vijayan, M.
登録日2004-12-13
公開日2005-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A new relaxed state in horse methemoglobin characterized by crystallographic studies.
Proteins, 60, 2005
2QHM
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crystal structure of Chek1 in complex with inhibitor 2a
分子名称: (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE, Serine/threonine-protein kinase Chk1
著者Yan, Y, Munshi, S.
登録日2007-07-02
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2ENC
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Solution structure of the C2H2 type zinc finger (region 395-427) of human Zinc finger protein 224
分子名称: ZINC ION, Zinc finger protein 224
著者Tochio, N, Tomizawa, T, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-28
公開日2007-10-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the C2H2 type zinc finger (region 395-427) of human Zinc finger protein 224
To be Published
1YAQ
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CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS
分子名称: LYSOZYME, SODIUM ION
著者Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K.
登録日1995-09-29
公開日1996-04-03
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants.
J.Mol.Biol., 254, 1995
3IGG
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BU of 3igg by Molmil
Novel CDK-5 inhibitors - crystal structure of inhibitor EFQ with CDK-2
分子名称: Cell division protein kinase 2, N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
著者Pandit, J.
登録日2009-07-27
公開日2009-09-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 19, 2009
2DYL
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BU of 2dyl by Molmil
Crystal structure of human mitogen-activated protein kinase kinase 7 activated mutant (S287D, T291D)
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Kukimoto-Niino, M, Takagi, T, Kaminishi, T, Uchikubo-Kamo, T, Terada, T, Matsuzaki, O, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-09-15
公開日2007-08-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of human mitogen-activated protein kinase kinase 7 activated mutant (S287D, T291D)
To be Published
1HII
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COMPARATIVE ANALYSIS OF THE X-RAY STRUCTURES OF HIV-1 AND HIV-2 PROTEASES IN COMPLEX WITH CGP 53820, A NOVEL PSEUDOSYMMETRIC INHIBITOR
分子名称: ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL, HIV-2 PROTEASE, SULFATE ION
著者Priestle, J.P, Gruetter, M.G.
登録日1995-03-31
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparative analysis of the X-ray structures of HIV-1 and HIV-2 proteases in complex with CGP 53820, a novel pseudosymmetric inhibitor.
Structure, 3, 1995
1YAP
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CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS
分子名称: LYSOZYME, SODIUM ION
著者Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K.
登録日1995-09-29
公開日1996-04-03
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants.
J.Mol.Biol., 254, 1995
1YEQ
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BU of 1yeq by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: betaW37Y OXY (10 test sets)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-12-28
公開日2005-01-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1YFF
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STRUCTURE OF HUMAN CARBONMONOXYHEMOGLOBIN C (BETA E6K): TWO QUATERNARY STATES (R2 and R3) IN ONE CRYSTAL
分子名称: CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ...
著者Patskovska, L, Patskovsky, Y, Hirsch, R.E, Almo, S.C.
登録日2004-12-31
公開日2005-01-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of Quaternary Transitions in Human Liganded Hemoglobin
To be Published
2QKR
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BU of 2qkr by Molmil
Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound
分子名称: (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, Cdc2-like CDK2/CDC28 like protein kinase
著者Wernimont, A.K, Dong, A, Lew, J, Lin, Y.H, Hassanali, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2007-07-11
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound.
To be Published
1ZEI
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CROSS-LINKED B28 ASP INSULIN
分子名称: CHLORIDE ION, INSULIN, M-CRESOL, ...
著者Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G.
登録日1998-07-14
公開日1999-02-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
1HXB
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HIV-1 proteinase complexed with RO 31-8959
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, HIV-1 PROTEASE
著者Graves, B.J, Hatada, M.H, Crowther, R.L.
登録日1996-09-13
公開日1997-03-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere.
J.Med.Chem., 34, 1991
2EE3
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BU of 2ee3 by Molmil
Solution structures of the fn3 domain of human collagen alpha-1(XX) chain
分子名称: Collagen alpha-1(XX) chain
著者Sato, M, Tochio, N, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-15
公開日2007-08-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structures of the fn3 domain of human collagen alpha-1(XX) chain
To be Published
2EFA
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Neutron crystal structure of cubic insulin at pD6.6
分子名称: Insulin
著者Ishikawa, T, Tanaka, I, Niimura, N.
登録日2007-02-22
公開日2008-01-22
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (2.7 Å)
主引用文献A neutron crystallographic analysis of a cubic porcine insulin at pD 6.6
Chem.Phys., 345, 2008
1HXW
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HIV-1 PROTEASE DIMER COMPLEXED WITH A-84538
分子名称: HIV-1 PROTEASE, RITONAVIR
著者Park, C.H, Nienaber, V, Kong, X.P.
登録日1997-01-24
公開日1998-02-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans.
Proc.Natl.Acad.Sci.USA, 92, 1995
1HSI
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CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES
分子名称: HIV-2 PROTEASE
著者Chen, Z.
登録日1995-03-31
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases.
J.Biol.Chem., 269, 1994
1HSG
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CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES
分子名称: HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
著者Chen, Z.
登録日1995-03-31
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases.
J.Biol.Chem., 269, 1994
1ZHR
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Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S-K437A Mutant)
分子名称: BENZAMIDINE, coagulation factor XI
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-04-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1HP7
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A 2.1 ANGSTROM STRUCTURE OF AN UNCLEAVED ALPHA-1-ANTITRYPSIN SHOWS VARIABILITY OF THE REACTIVE CENTER AND OTHER LOOPS
分子名称: ALPHA-1-ANTITRYPSIN, BETA-MERCAPTOETHANOL, ZINC ION
著者Kim, S.-J, Woo, J.-R, Seo, E.J, Yu, M.-H, Ryu, S.-E.
登録日2000-12-12
公開日2001-03-14
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A 2.1 A resolution structure of an uncleaved alpha(1)-antitrypsin shows variability of the reactive center and other loops.
J.Mol.Biol., 306, 2001
1ZJ7
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Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
分子名称: N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
著者Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J.
登録日2005-04-28
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site
J.Med.Chem., 49, 2006
1HLE
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CRYSTAL STRUCTURE OF CLEAVED EQUINE LEUCOCYTE ELASTASE INHIBITOR DETERMINED AT 1.95 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, HORSE LEUKOCYTE ELASTASE INHIBITOR
著者Baumann, U, Bode, W, Huber, R, Travis, J, Potempa, J.
登録日1992-04-13
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of cleaved equine leucocyte elastase inhibitor determined at 1.95 A resolution.
J.Mol.Biol., 226, 1992
3BE9
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Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities
分子名称: 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one, Casein kinase II subunit alpha
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Lu, J, Averill, A, Almassy, R, Chu, S.
登録日2007-11-16
公開日2008-11-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities.
Bioorg.Med.Chem.Lett., 18, 2008

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