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1L8S
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CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + LPC-ether + ACETATE + PHOSPHATE IONS)
分子名称: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, CALCIUM ION, ...
著者Pan, Y.H, Bahnson, B.J.
登録日2002-03-21
公開日2002-12-25
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of phospholipase A2 Complex with the Hydrolysis Products of Platelet Activating Factor: Equilibrium Binding of Fatty Acid and Lysophospholipid-ether at the Active Site may be Mutually Exclusive
Biochemistry, 41, 2002
2DZO
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Crystal structure analysis of yeast Nas6p complexed with the proteasome subunit, rpt3
分子名称: 26S protease regulatory subunit 6B homolog, Probable 26S proteasome regulatory subunit p28
著者Nakamura, Y, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-09-29
公開日2007-10-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure analysis of yeast Nas6p complexed with the proteasome subunit, rpt3
To be Published
1LA3
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Solution structure of recoverin mutant, E85Q
分子名称: CALCIUM ION, MYRISTIC ACID, Recoverin
著者Ames, J.B, Hamasaki, N, Molchanova, T.
登録日2002-03-27
公開日2002-06-19
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Structure and calcium-binding studies of a recoverin mutant (E85Q) in an allosteric intermediate state.
Biochemistry, 41, 2002
3ION
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PDK1 in complex with Compound 8h
分子名称: 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
著者Olland, A.M.
登録日2009-08-14
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
2E0L
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Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
分子名称: CADMIUM ION, CHLORIDE ION, Ribonuclease
著者Yamada, H, Tamada, T, Kosaka, M, Kuroki, R.
登録日2006-10-10
公開日2007-08-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines
Protein Sci., 16, 2007
1IP2
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BU of 1ip2 by Molmil
G48A HUMAN LYSOZYME
分子名称: LYSOZYME C, SODIUM ION
著者Takano, K, Yamagata, Y, Yutani, K.
登録日2001-04-20
公開日2001-11-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein.
Proteins, 45, 2001
3FI4
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BU of 3fi4 by Molmil
P38 kinase crystal structure in complex with RO4499
分子名称: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M, Dunten, P.
登録日2008-12-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
1XXS
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Structural insights for fatty acid binding in a Lys49 phospholipase A2: crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid
分子名称: Phospholipase A2 homolog 2, STEARIC ACID, SULFATE ION
著者Watanabe, L, Soares, A.M, Ward, R.J, Fontes, M.R, Arni, R.K.
登録日2004-11-08
公開日2005-03-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights for fatty acid binding in a Lys49-phospholipase A(2): crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid
Biochimie, 87, 2005
1IZH
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Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants
分子名称: proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
著者Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J.
登録日2002-10-02
公開日2002-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
1XUJ
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TRYPSIN-KETO-BABIM-ZN+2, PH 8.2
分子名称: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ...
著者Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
登録日1997-10-10
公開日1998-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
2EB8
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BU of 2eb8 by Molmil
Crystal Structure of Cu(II)(Sal-Phe)/apo-Myoglobin
分子名称: (N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II), Myoglobin, PHOSPHATE ION
著者Abe, S, Okazaki, S, Ueno, T, Hikage, T, Suzuki, A, Yamane, T, Watanabe, Y.
登録日2007-02-07
公開日2007-07-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design and Structure Analysis of Artificial Metalloproteins: Selective Coordination of His64 to Copper Complexes with Square-Planar Structure in the apo-Myoglobin Scaffold
Inorg.Chem., 46, 2007
2RG5
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Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
分子名称: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
2E9O
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Structure of h-CHK1 complexed with AA582939
分子名称: 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-01-26
公開日2008-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
1IX0
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I59A-3SS human lysozyme
分子名称: SODIUM ION, lysozyme
著者Takano, K, Yamagata, Y, Yutani, K.
登録日2002-06-06
公開日2003-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Buried water molecules contribute to the conformational stability of a protein
PROTEIN ENG., 16, 2003
1XWC
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Drosophila thioredoxin, reduced, P6522
分子名称: thioredoxin
著者Wahl, M.C, Irmler, A, Hecker, B, Schirmer, R.H, Becker, K.
登録日2004-10-29
公開日2004-11-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparative structural analysis of oxidized and reduced thioredoxin from Drosophila melanogaster
J.Mol.Biol., 345, 2005
3FMN
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P38 kinase crystal structure in complex with RO2530
分子名称: 6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献P38 kinase crystal structure in complex with RO2530
To be Published
1TLD
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BU of 1tld by Molmil
CRYSTAL STRUCTURE OF BOVINE BETA-TRYPSIN AT 1.5 ANGSTROMS RESOLUTION IN A CRYSTAL FORM WITH LOW MOLECULAR PACKING DENSITY. ACTIVE SITE GEOMETRY, ION PAIRS AND SOLVENT STRUCTURE
分子名称: BETA-TRYPSIN, CALCIUM ION, SULFATE ION
著者Bartunik, H.D, Summers, L.J, Bartsch, H.H.
登録日1989-07-24
公開日1990-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of bovine beta-trypsin at 1.5 A resolution in a crystal form with low molecular packing density. Active site geometry, ion pairs and solvent structure.
J.Mol.Biol., 210, 1989
2EC3
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Solution structure of the 11th FN1 domain from human Fibronectin 1
分子名称: Fibronectin
著者Sano, R, Hayashi, F, Izumi, K, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-09
公開日2008-03-04
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structure of the 11th FN1 domain from human Fibronectin 1
To be Published
2ZAZ
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Crystal structure of P38 in complex with 4-anilino quinoline inhibitor
分子名称: 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ACETATE ION, GLYCEROL, ...
著者Somers, D.O.
登録日2007-10-12
公開日2008-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
2EDB
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Solution structure of the fourth fibronectin type III domain of human Netrin receptor DCC
分子名称: Netrin receptor DCC
著者Tochio, N, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-14
公開日2008-03-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the fourth fibronectin type III domain of human Netrin receptor DCC
To be Published
1J4W
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COMPLEX OF THE KH3 and KH4 DOMAINS OF FBP WITH A SINGLE_STRANDED 29mer DNA OLIGONUCLEOTIDE FROM THE FUSE ELEMENT OF THE C-MYC ONCOGENE
分子名称: DNA (5'-D(*GP*TP*A*TP*AP*TP*TP*CP*CP*CP*TP*CP*GP*GP*G*AP*TP*TP*TP*TP*TP*TP*AP*TP*TP*TP*TP*GP*T)-3'), FUSE binding protein
著者Clore, G.M, Braddock, D.T.
登録日2001-11-30
公開日2002-03-06
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure and dynamics of KH domains from FBP bound to single-stranded DNA.
Nature, 415, 2002
1IZR
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F46A mutant of bovine pancreatic ribonuclease A
分子名称: RIBONUCLEASE A
著者Kadonosono, T, Chatani, E, Hayashi, R, Moriyama, H, Ueki, T.
登録日2002-10-11
公開日2003-11-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Minimization of cavity size ensures protein stability and folding: structures of Phe46-replaced bovine pancreatic RNase A
Biochemistry, 42, 2003
1V2V
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Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1J52
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Recombinant sperm whale myoglobin in the presence of 7atm xenon
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, XENON, ...
著者Liong, E.C, Phillips Jr, G.N.
登録日2002-01-08
公開日2003-11-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Internal Cavities in Myoglobin: Implications for Protein Action
To be Published
2EF2
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Crystal Structure of an Artificial Metalloprotein:Rh(Phebox-Ph)/apo-A71G Myoglobin
分子名称: Myoglobin, PHOSPHATE ION, [2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III)
著者Abe, S, Satake, Y, Okazaki, S, Ueno, T, Hikage, T, Suzuki, A, Yamane, T, Nakajima, H, Watanabe, Y.
登録日2007-02-20
公開日2007-10-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Incorporation of a Phebox Rhodium Complex into apo-Myoglobin Affords a Stable Organometallic Protein Showing Unprecedented Arrangement of the Complex in the Cavity
ORGANOMETALLICS, 26, 2007

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