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2BD5
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BU of 2bd5 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5 and immersed in pH 9 buffer for 30 seconds
Descriptor: CALCIUM ION, Elastase-1, LYSINE, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BZ9
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BU of 2bz9 by Molmil
Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
Authors:Yermalitskaya, L.V, Waterman, M.R, Podust, L.M.
Deposit date:2005-08-12
Release date:2006-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2CI0
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BU of 2ci0 by Molmil
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
Descriptor: (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
Deposit date:2006-03-16
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2CLE
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BU of 2cle by Molmil
Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - lowF6 complex
Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F.
Deposit date:2006-04-27
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
2CLK
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BU of 2clk by Molmil
Tryptophan Synthase in complex with D-glyceraldehyde 3-phosphate (G3P)
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F.
Deposit date:2006-04-27
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
2EAU
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BU of 2eau by Molmil
Crystal structure of the SR CA2+-ATPASE with bound CPA in the presence of curcumin
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, PHOSPHATIDYLETHANOLAMINE, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
2EAR
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BU of 2ear by Molmil
P21 crystal of the SR CA2+-ATPase with bound TG
Descriptor: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ...
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
2BD4
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BU of 2bd4 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5.0
Descriptor: CALCIUM ION, Elastase-1, LYSINE, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD9
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BU of 2bd9 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak) and immersed in pH 9 buffer for 28 seconds (2nd pH jump)
Descriptor: CALCIUM ION, Elastase-1, SULFATE ION
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2CLO
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BU of 2clo by Molmil
Tryptophan Synthase (external aldimine state) in complex with (naphthalene-2'-sulfonyl)-2-amino-1-ethylphosphate (F19)
Descriptor: 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ...
Authors:Ngo, H, Kimmich, N, Harris, R, Niks, D, Blumenstein, L, Kulik, V, Barends, T.R, Schlichting, I, Dunn, M.F.
Deposit date:2006-04-28
Release date:2007-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric Regulation of Substrate Channeling in Tryptophan Synthase: Modulation of the L-Serine Reaction in Stage I of the Beta-Reaction by Alpha-Site Ligands.
Biochemistry, 46, 2007
2CLM
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BU of 2clm by Molmil
Tryptophan Synthase (external aldimine state) in complex with N-(4'- trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F)
Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ...
Authors:Ngo, H, Kimmich, N, Harris, R, Niks, D, Blumenstein, L, Kulik, V, Barends, T.R, Schlichting, I, Dunn, M.F.
Deposit date:2006-04-28
Release date:2007-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Allosteric Regulation of Substrate Channeling in Tryptophan Synthase: Modulation of the L-Serine Reaction in Stage I of the Beta-Reaction by Alpha-Site Ligands.
Biochemistry, 46, 2007
2CIB
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BU of 2cib by Molmil
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
Descriptor: (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
Deposit date:2006-03-17
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2F38
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BU of 2f38 by Molmil
Crystal structure of prostaglandin F synathase containing bimatoprost
Descriptor: (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-5-ENAMIDE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Komoto, J, Yamada, T, Watanabe, K, Woodward, D.F, Takusagawa, F.
Deposit date:2005-11-18
Release date:2006-10-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prostaglandin F2alpha formation from prostaglandin H2 by prostaglandin F synthase (PGFS): crystal structure of PGFS containing bimatoprost.
Biochemistry, 45, 2006
2FGB
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BU of 2fgb by Molmil
Crystal structure of human 17bet a-hydroxysteroid dehydrogenase type 5 in complexes with PEG and NADP
Descriptor: ACETATE ION, Aldo-keto reductase family 1 member C3, HEXAETHYLENE GLYCOL, ...
Authors:Qiu, W, Zhou, M, Azzi, A, Luu-The, V, Labrie, F, Lin, S.X.
Deposit date:2005-12-21
Release date:2006-12-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 282, 2007
2CA2
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BU of 2ca2 by Molmil
CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ...
Authors:Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A.
Deposit date:1989-02-06
Release date:1990-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
2CLF
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BU of 2clf by Molmil
Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - highF6 complex
Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F.
Deposit date:2006-04-27
Release date:2007-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
2CLH
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BU of 2clh by Molmil
Tryptophan Synthase in complex with (naphthalene-2'-sulfonyl)-2-amino- 1-ethylphosphate (F19)
Descriptor: 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F.
Deposit date:2006-04-27
Release date:2007-06-12
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis and characterization of allosteric probes of substrate channeling in the tryptophan synthase bienzyme complex.
Biochemistry, 46, 2007
2FOB
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BU of 2fob by Molmil
Structure of porcine pancreatic elastase in 40/50/10 cyclohexane
Descriptor: CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D.
Deposit date:2006-01-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
2FOF
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BU of 2fof by Molmil
Structure of porcine pancreatic elastase in 80% isopropanol
Descriptor: CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D.
Deposit date:2006-01-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
2FOQ
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BU of 2foq by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-13
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FOU
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BU of 2fou by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: COPPER (II) ION, Carbonic Anhydrase II, GLYCEROL, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-14
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FOV
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BU of 2fov by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: ACETONITRILE, COPPER (II) ION, Carbonic Anhydrase II, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-14
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FOY
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BU of 2foy by Molmil
Human Carbonic Anhydrase I complexed with a two-prong inhibitor
Descriptor: Carbonic anhydrase 1, ZINC ION, {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER
Authors:Jude, K.M, Banerjee, A.L, Haldar, M.K, Manokaran, S, Roy, B, Mallik, S, Srivastava, D.K, Christianson, D.W.
Deposit date:2006-01-14
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FR7
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BU of 2fr7 by Molmil
Crystal Structure of Cytochrome P450 CYP199A2
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
Authors:Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
Deposit date:2006-01-19
Release date:2007-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of CYP199A2, a para-substituted benzoic acid oxidizing cytochrome P450 from Rhodopseudomonas palustris
J.Mol.Biol., 383, 2008
2FO9
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BU of 2fo9 by Molmil
Structure of porcine pancreatic elastase in 95% acetone
Descriptor: ACETONE, CALCIUM ION, SULFATE ION, ...
Authors:Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D.
Deposit date:2006-01-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006

223790

數據於2024-08-14公開中

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