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1ILZ
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BU of 1ilz by Molmil
OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI N156A ACTIVE SITE MUTANT pH 6.1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, OUTER MEMBRANE PHOSPHOLIPASE A, octyl beta-D-glucopyranoside
Authors:Snijder, H.J, Van Eerde, J.H, Kingma, R.L, Kalk, K.H, Dekker, N, Egmond, M.R, Dijkstra, B.W.
Deposit date:2001-05-09
Release date:2001-10-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural investigations of the active-site mutant Asn156Ala of outer membrane phospholipase A: function of the Asn-His interaction in the catalytic triad.
Protein Sci., 10, 2001
5Q0R
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Ligand binding to FARNESOID-X-RECEPTOR
Descriptor: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0Z
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BU of 5q0z by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
Descriptor: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q1I
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Ligand binding to FARNESOID-X-RECEPTOR
Descriptor: 3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
1ILD
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BU of 1ild by Molmil
OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI N156A ACTIVE SITE MUTANT pH 4.6
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, OUTER MEMBRANE PHOSPHOLIPASE A, octyl beta-D-glucopyranoside
Authors:Snijder, H.J, Van Eerde, J.H, Kingma, R.L, Kalk, K.H, Dekker, N, Egmond, M.R, Dijkstra, B.W.
Deposit date:2001-05-08
Release date:2001-10-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural investigations of the active-site mutant Asn156Ala of outer membrane phospholipase A: function of the Asn-His interaction in the catalytic triad.
Protein Sci., 10, 2001
6S0W
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BU of 6s0w by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and kanamycin B sulfate
Descriptor: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, Kanamycin B dioxygenase, ...
Authors:Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
1J73
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Crystal structure of an unstable insulin analog with native activity.
Descriptor: ZINC ION, insulin a, insulin b
Authors:Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A.
Deposit date:2001-05-15
Release date:2001-05-30
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
2AR3
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BU of 2ar3 by Molmil
E90A mutant structure of PlyL
Descriptor: PHOSPHATE ION, ZINC ION, prophage lambdaba02, ...
Authors:Low, L.Y, Yang, C, Perego, M, Osterman, A, Liddington, R.C.
Deposit date:2005-08-19
Release date:2006-06-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and lytic activity of a Bacillus anthracis prophage endolysin.
J.Biol.Chem., 280, 2005
1IJH
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BU of 1ijh by Molmil
CHOLESTEROL OXIDASE FROM STREPTOMYCES ASN485LEU MUTANT
Descriptor: CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Vrielink, A, Lario, P.I.
Deposit date:2001-04-26
Release date:2001-12-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The presence of a hydrogen bond between asparagine 485 and the pi system of FAD modulates the redox potential in the reaction catalyzed by cholesterol oxidase.
Biochemistry, 40, 2001
1IE5
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BU of 1ie5 by Molmil
NMR STRUCTURE OF THE THIRD IMMUNOGLOBULIN DOMAIN FROM THE NEURAL CELL ADHESION MOLECULE.
Descriptor: NEURAL CELL ADHESION MOLECULE
Authors:Atkins, A.R, Chung, J, Deechongkit, S, Little, E.B, Edelman, G.M, Wright, P.E, Cunningham, B.A, Dyson, H.J.
Deposit date:2001-04-06
Release date:2001-08-08
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the third immunoglobulin domain of the neural cell adhesion molecule N-CAM: can solution studies define the mechanism of homophilic binding?
J.Mol.Biol., 311, 2001
1IRB
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BU of 1irb by Molmil
CARBOXYLIC ESTER HYDROLASE
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-08-13
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phospholipase A2 engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface.
Biochemistry, 35, 1996
6S0T
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BU of 6s0t by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide
Descriptor: IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
5FVE
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BU of 5fve by Molmil
Crystal Structure of Helicobacter pylori beta clamp in complex with 3, 4-Difluorobenzamide
Descriptor: 3,4-difluorobenzamide, DNA POLYMERASE III SUBUNIT BETA
Authors:Pandey, P, Gourinath, S.
Deposit date:2016-02-05
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
1KAV
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BU of 1kav by Molmil
Human Tyrosine Phosphatase 1B Complexed with an Inhibitor
Descriptor: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID
Authors:Jia, Z, Ye, Q, Dinaut, A.N, Wang, Q, Waddleton, D, Payette, P, Ramachandran, C, Kennedy, B, Hum, G, Taylor, S.D.
Deposit date:2001-11-03
Release date:2002-06-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of protein tyrosine phosphatase 1B in complex with inhibitors bearing two phosphotyrosine mimetics.
J.Med.Chem., 44, 2001
1KAY
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BU of 1kay by Molmil
70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71A MUTANT
Descriptor: 70KD HEAT SHOCK COGNATE PROTEIN, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:O'Brien, M.C, Flaherty, K.M, Mckay, D.B.
Deposit date:1996-04-15
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Lysine 71 of the chaperone protein Hsc70 Is essential for ATP hydrolysis.
J.Biol.Chem., 271, 1996
1I7S
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BU of 1i7s by Molmil
ANTHRANILATE SYNTHASE FROM SERRATIA MARCESCENS IN COMPLEX WITH ITS END PRODUCT INHIBITOR L-TRYPTOPHAN
Descriptor: ANTHRANILATE SYNTHASE, TRPG, TRYPTOPHAN
Authors:Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E.
Deposit date:2001-03-10
Release date:2001-05-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
1KHL
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E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) COMPLEX WITH PHOSPHATE
Descriptor: Alkaline Phosphatase, PHOSPHATE ION, ZINC ION
Authors:Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C.
Deposit date:2001-11-30
Release date:2002-03-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
4GIF
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BU of 4gif by Molmil
C-terminal coiled-coil domain of transient receptor potential channel TRPP3 (PKD2L1, Polycystin-L)
Descriptor: Polycystic kidney disease 2-like 1 protein
Authors:Yu, Y, Ulbrich, M.H, Li, M.-H, Dobbins, S, Zhang, W.K, Tong, L, Isacoff, E.Y, Yang, J.
Deposit date:2012-08-08
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular mechanism of the assembly of an acid-sensing receptor ion channel complex.
Nat Commun, 3, 2012
1KHN
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E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) ZINC FORM
Descriptor: Alkaline phosphatase, ZINC ION
Authors:Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C.
Deposit date:2001-11-30
Release date:2002-03-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
1I7Q
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BU of 1i7q by Molmil
ANTHRANILATE SYNTHASE FROM S. MARCESCENS
Descriptor: ANTHRANILATE SYNTHASE, BENZOIC ACID, GLUTAMIC ACID, ...
Authors:Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E.
Deposit date:2001-03-10
Release date:2001-05-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I7P
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BU of 1i7p by Molmil
CRYSTAL STRUCTURE OF RAT B5R IN COMPLEX WITH FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH-CYTOCHROME B5 REDUCTASE
Authors:Bewley, M.C, Marohnic, C.C, Barber, M.J.
Deposit date:2001-03-10
Release date:2001-12-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure and biochemistry of NADH-dependent cytochrome b5 reductase are now consistent.
Biochemistry, 40, 2001
1KLK
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CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Rosowsky, A, Queener, S.F.
Deposit date:2001-12-12
Release date:2002-12-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based enzyme inhibitor design: modeling studies and crystal structure analysis of Pneumocystis carinii dihydrofolate reductase ternary complex with PT653 and NADPH.
Acta Crystallogr.,Sect.D, 58, 2002
1KMK
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E. coli NifS/CsdB protein at 2.20A with the cysteine perselenide intermediate (residue CSZ).
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SELENOCYSTEINE, SELENOCYSTEINE LYASE
Authors:Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-12-16
Release date:2001-12-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Analysis of the E. coli NifS CsdB protein at 2.0 A reveals the structural basis for perselenide and persulfide intermediate formation.
J.Mol.Biol., 315, 2002
1KMS
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HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE
Descriptor: 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W.
Deposit date:2001-12-17
Release date:2002-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution.
J.Mol.Biol., 320, 2002
1KD1
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Co-crystal Structure of Spiramycin bound to the 50S Ribosomal Subunit of Haloarcula marismortui
Descriptor: 23S RRNA, 5S RRNA, CADMIUM ION, ...
Authors:Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.A.
Deposit date:2001-11-12
Release date:2002-07-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002

223790

数据于2024-08-14公开中

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