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2RBL
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BU of 2rbl by Molmil
High resolution design of a protein loop
Descriptor: Tenascin
Authors:Hu, X, Wang, H, Ke, H, Kuhlman, B.
Deposit date:2007-09-19
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-resolution design of a protein loop.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2RBM
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BU of 2rbm by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I72K at cryogenic temperature
Descriptor: CALCIUM ION, PHOSPHATE ION, THYMIDINE-3',5'-DIPHOSPHATE, ...
Authors:Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2007-09-19
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS I72K at cryogenic temperature
To be Published
2RBN
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BU of 2rbn by Molmil
N-phenylglycinonitrile in complex with T4 lysozyme L99A/M102Q
Descriptor: (phenylamino)acetonitrile, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBO
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BU of 2rbo by Molmil
2-nitrothiophene in complex with T4 lysozyme L99A/M102Q
Descriptor: 2-nitrothiophene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBP
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BU of 2rbp by Molmil
2-(n-propylthio)ethanol in complex with T4 lysozyme L99A/M102Q
Descriptor: 2-(propylsulfanyl)ethanol, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBQ
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BU of 2rbq by Molmil
3-methylbenzylazide in complex with T4 L99A/M102Q
Descriptor: 1-(azidomethyl)-3-methylbenzene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.633 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBR
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BU of 2rbr by Molmil
2-phenoxyethanol in complex with T4 lysozyme L99A/M102Q
Descriptor: 2-phenoxyethanol, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBS
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BU of 2rbs by Molmil
(r)(+)-3-chloro-1-phenyl-1-propanol in complex with T4 lysozyme L99A/M102Q
Descriptor: (1R)-3-chloro-1-phenylpropan-1-ol, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.557 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBT
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BU of 2rbt by Molmil
n-methylbenzylamine in complex with Cytochrome C Peroxidase W191G
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome C Peroxidase, N-methyl-1-phenylmethanamine, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBU
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BU of 2rbu by Molmil
Cytochrome C Peroxidase in complex with cyclopentane-carboximidamide
Descriptor: Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE, cyclopentanecarboximidamide
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBV
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BU of 2rbv by Molmil
Cytochrome C Peroxidase in complex with (1-methyl-1h-pyrrol-2-yl)-methylamine
Descriptor: 1-(1-methyl-1H-pyrrol-2-yl)methanamine, Cytochrome C Peroxidase, PHOSPHATE ION, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBW
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BU of 2rbw by Molmil
Cytochrome C Peroxidase W191G in complex with 1,2-dimethyl-1h-pyridin-5-amine
Descriptor: 5-amino-1,2-dimethylpyridinium, Cytochrome C Peroxidase, PHOSPHATE ION, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBX
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BU of 2rbx by Molmil
Cytochrome C Peroxidase W191G in complex with pyrimidine-2,4,6-triamine.
Descriptor: Cytochrome C Peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBY
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BU of 2rby by Molmil
1-methyl-5-imidazolecarboxaldehyde in complex with Cytochrome C Peroxidase W191G
Descriptor: 1-methyl-1H-imidazole-5-carbaldehyde, Cytochrome C Peroxidase, PHOSPHATE ION, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBZ
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BU of 2rbz by Molmil
Cytochrome C Peroxidase W191G in complex 3-methoxypyridine
Descriptor: 3-methoxypyridine, Cytochrome C Peroxidase, PHOSPHATE ION, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RC0
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BU of 2rc0 by Molmil
Cytochrome C Peroxidase W191G in complex with 2-imino-4-methylpiperdine
Descriptor: (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine, Cytochrome C Peroxidase, PHOSPHATE ION, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RC1
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BU of 2rc1 by Molmil
Cytochrome C Peroxidase W191G in complex with 2,4,5-trimethyl-3-oxazoline
Descriptor: (2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RC2
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BU of 2rc2 by Molmil
Cytochrome C Peroxidase W191G in complex with 1-methyl-2-vinyl-pyridinium
Descriptor: 2-ethenyl-1-methylpyridinium, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RC3
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BU of 2rc3 by Molmil
Crystal structure of CBS domain, NE2398
Descriptor: BROMIDE ION, CBS domain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Dong, A, Xu, X, Korniyenko, Y, Yakunin, A, Zheng, H, Walker, J.R, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-09-19
Release date:2007-10-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of CBS domain, NE2398.
To be Published
2RC4
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BU of 2rc4 by Molmil
Crystal Structure of the HAT domain of the human MOZ protein
Descriptor: ACETYL COENZYME *A, Histone acetyltransferase MYST3, ZINC ION
Authors:Holbert, M.A, Sikorski, T, Snowflack, D, Marmorstein, R.
Deposit date:2007-09-19
Release date:2007-11-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:The human monocytic leukemia zinc finger histone acetyltransferase domain contains DNA-binding activity implicated in chromatin targeting.
J.Biol.Chem., 282, 2007
2RC5
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BU of 2rc5 by Molmil
Refined structure of FNR from Leptospira interrogans
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, SULFATE ION, ...
Authors:Nascimento, A.S, Catalano-Dupuy, D.L, Polikarpov, I, Ceccarelli, E.A.
Deposit date:2007-09-19
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:Crystal structures of Leptospira interrogans FAD-containing ferredoxin-NADP+ reductase and its complex with NADP+.
Bmc Struct.Biol., 7, 2007
2RC6
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BU of 2rc6 by Molmil
Refined structure of FNR from Leptospira interrogans bound to NADP+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Nascimento, A.S, Catalano-Dupuy, D.L, Ceccarelli, E.A, Polikarpov, I.
Deposit date:2007-09-19
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of Leptospira interrogans FAD-containing ferredoxin-NADP+ reductase and its complex with NADP+.
Bmc Struct.Biol., 7, 2007
2RC7
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BU of 2rc7 by Molmil
Crystal structure of the NR3A ligand binding core complex with glycine at 1.58 Angstrom resolution
Descriptor: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Yao, Y, Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RC8
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BU of 2rc8 by Molmil
Crystal structure of the NR3A ligand binding core complex with D-serine at 1.45 Angstrom resolution
Descriptor: CHLORIDE ION, D-SERINE, GLYCEROL, ...
Authors:Yao, Y, Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RC9
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BU of 2rc9 by Molmil
Crystal structure of the NR3A ligand binding core complex with ACPC at 1.96 Angstrom resolution
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, Glutamate [NMDA] receptor subunit 3A
Authors:Yao, Y, Mayer, M.L.
Deposit date:2007-09-19
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008

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