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1RIR
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Crystal structure of meso-tetrasulphonatophenylporphyrin in complex with Peanut lectin.
分子名称: 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE, CALCIUM ION, Galactose-binding lectin, ...
著者Goel, M, Kaur, K.J, Maiya, B.G, Swamy, M.J, Salunke, D.M.
登録日2003-11-17
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of the PNA-porphyrin complex in the presence and absence of lactose: mapping the conformational changes on lactose binding, interacting surfaces, and supramolecular aggregations.
Biochemistry, 44, 2005
1S1X
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BU of 1s1x by Molmil
Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1V
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BU of 1s1v by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651
分子名称: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1U
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BU of 1s1u by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1W
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BU of 1s1w by Molmil
Crystal structure of V106A mutant HIV-1 reverse transcriptase in complex with UC-781
分子名称: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1JKH
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BU of 1jkh by Molmil
CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ)
分子名称: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ...
著者Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
登録日2001-07-12
公開日2001-10-03
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JYJ
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BU of 1jyj by Molmil
Crystal Structure of a Double Variant (W67L/W91H) of Recombinant Human Serum Retinol-binding Protein at 2.0 A Resolution
分子名称: GLYCEROL, PLASMA RETINOL-BINDING PROTEIN
著者Greene, L.H, Chrysina, E.D, Irons, L.I, Papageorgiou, A.C, Acharya, K.R, Brew, K.
登録日2001-09-12
公開日2003-07-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of Conserved Residues in Structure and Stability: Tryptophans of Human Serum Retinol-Binding Protein, a Model for the Lipocalin Superfamily
Protein Sci., 10, 2001
1JLG
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BU of 1jlg by Molmil
CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781
分子名称: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain
著者Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-10-03
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
分子名称: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
分子名称: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
3DDQ
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BU of 3ddq by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine
分子名称: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ...
著者Echalier, A, Endicott, J.A.
登録日2008-06-06
公開日2008-07-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
1KGJ
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BU of 1kgj by Molmil
Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388)
分子名称: 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, TRANSTHYRETIN
著者Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W.
登録日2001-11-27
公開日2002-11-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparison of binding interactions of dibromoflavonoids with transthyretin.
Acta Biochim.Pol., 48, 2001
1JLB
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BU of 1jlb by Molmil
CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT A-chain, HIV-1 RT B-chain
著者Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-10-03
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLF
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BU of 1jlf by Molmil
CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT A-chain, HIV-1 RT B-chain
著者Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-10-03
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLA
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BU of 1jla by Molmil
CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651
分子名称: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 RT A-chain, HIV-1 RT B-chain
著者Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-10-03
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JLE
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BU of 1jle by Molmil
CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE
分子名称: HIV-1 RT, A-CHAIN, B-CHAIN
著者Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-10-03
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1JYD
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BU of 1jyd by Molmil
Crystal Structure of Recombinant Human Serum Retinol-Binding Protein at 1.7 A Resolution
分子名称: GLYCEROL, PLASMA RETINOL-BINDING PROTEIN
著者Greene, L.H, Chrysina, E.D, Irons, L.I, Papageorgiou, A.C, Acharya, K.R, Brew, K.
登録日2001-09-12
公開日2003-07-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Role of conserved residues in structure and stability: Tryptophans of human serum retinol-binding protein, a model for the lipocalin superfamily
Protein Sci., 10, 2001
1JLC
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BU of 1jlc by Molmil
CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2
分子名称: HIV-1 RT A-chain, HIV-1 RT B-chain, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
著者Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-10-03
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
3CAA
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BU of 3caa by Molmil
CLEAVED ANTICHYMOTRYPSIN A347R
分子名称: ANTICHYMOTRYPSIN
著者Lukacs, C.M, Christianson, D.W.
登録日1997-08-18
公開日1998-02-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
4UHX
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BU of 4uhx by Molmil
Human aldehyde oxidase in complex with phthalazine and thioridazine
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ALDEHYDE OXIDASE, ...
著者Coelho, C, Romao, M.J, Santos-Silva, T.
登録日2015-03-26
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase
Nat.Chem.Biol., 11, 2015
1TUD
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BU of 1tud by Molmil
ALPHA-SPECTRIN SRC HOMOLOGY 3 DOMAIN, CIRCULAR PERMUTANT, CUT AT N47-D48
分子名称: ALPHA-SPECTRIN
著者Viguera, A.R, Serrano, L, Wilmanns, M.
登録日1996-02-29
公開日1996-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The order of secondary structure elements does not determine the structure of a protein but does affect its folding kinetics.
J.Mol.Biol., 247, 1995
1TUC
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BU of 1tuc by Molmil
ALPHA-SPECTRIN SRC HOMOLOGY 3 DOMAIN, CIRCULAR PERMUTANT, CUT AT S19-P20
分子名称: ALPHA-SPECTRIN
著者Wilmanns, M, Serrano, L, Viguera, A.R.
登録日1996-02-29
公開日1996-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The order of secondary structure elements does not determine the structure of a protein but does affect its folding kinetics.
J.Mol.Biol., 247, 1995
1VZM
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BU of 1vzm by Molmil
OSTEOCALCIN FROM FISH ARGYROSOMUS REGIUS
分子名称: MAGNESIUM ION, OSTEOCALCIN
著者Frazao, C, Simes, D.C, Coelho, R, Alves, D, Williamson, M.K, Price, P.A, Cancela, M.L, Carrondo, M.A.
登録日2004-05-21
公開日2004-09-10
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Evidence of a Fourth Gla Residue in Fish Osteocalcin: Biological Implications
Biochemistry, 44, 2005
2RHS
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BU of 2rhs by Molmil
PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ...
著者Evdokimov, A.G, Mekel, M.
登録日2007-10-09
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus.
J.Struct.Biol., 162, 2008
2RHQ
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BU of 2rhq by Molmil
PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ...
著者Evdokimov, A.G, Mekel, M.
登録日2007-10-09
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus.
J.Struct.Biol., 162, 2008

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