Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

6UBQ
DownloadVisualize
BU of 6ubq by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 100 K
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-09-12
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2991 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UCW
DownloadVisualize
BU of 6ucw by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
Deposit date:2019-09-17
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TZD
DownloadVisualize
BU of 6tzd by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 280 K
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-12
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4507 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U4I
DownloadVisualize
BU of 6u4i by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 280 K
Descriptor: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-25
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U1Z
DownloadVisualize
BU of 6u1z by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Herschlag, D.
Deposit date:2019-08-18
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5005 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UCN
DownloadVisualize
BU of 6ucn by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K
Descriptor: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
Deposit date:2019-09-16
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UCY
DownloadVisualize
BU of 6ucy by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K
Descriptor: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
2RB2
DownloadVisualize
BU of 2rb2 by Molmil
3-methylbenzylazide in complex with T4 lysozyme L99A
Descriptor: 1-(azidomethyl)-3-methylbenzene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-17
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.463 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBV
DownloadVisualize
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
2RBR
DownloadVisualize
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
DownloadVisualize
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
2RAZ
DownloadVisualize
BU of 2raz by Molmil
4-(methylthio)nitrobenzene in complex with T4 lysozyme L99A
Descriptor: 1-(methylsulfanyl)-4-nitrobenzene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-17
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBP
DownloadVisualize
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
2RC2
DownloadVisualize
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
2RBY
DownloadVisualize
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
2RBX
DownloadVisualize
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
2RBN
DownloadVisualize
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
2RBZ
DownloadVisualize
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
2RB0
DownloadVisualize
BU of 2rb0 by Molmil
2,6-difluorobenzylbromide complex with T4 lysozyme L99A
Descriptor: 2-(bromomethyl)-1,3-difluorobenzene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-17
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBQ
DownloadVisualize
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
2RBO
DownloadVisualize
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
2RC1
DownloadVisualize
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
2RAY
DownloadVisualize
BU of 2ray by Molmil
beta-chlorophenetole in complex with T4 lysozyme L99A
Descriptor: (2-chloroethoxy)benzene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-17
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBU
DownloadVisualize
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
2RBT
DownloadVisualize
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

221716

数据于2024-06-26公开中

PDB statisticsPDBj update infoContact PDBjnumon