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PDB: 182 results

4NVC
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BU of 4nvc by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVD
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BU of 4nvd by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVI
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BU of 4nvi by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVA
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BU of 4nva by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVL
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BU of 4nvl by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 1-(1H-benzimidazol-1-yl)propan-2-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVH
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BU of 4nvh by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 3-nitroquinolin-4-amine, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4OQ7
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BU of 4oq7 by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2014-02-07
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
8F6G
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BU of 8f6g by Molmil
Crystal structure of BPTF bromodomain in complex with BZ2
Descriptor: 6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one, Nucleosome-remodeling factor subunit BPTF
Authors:Nithianantham, S, Fischer, M.
Deposit date:2022-11-16
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of BPTF bromodomain in complex with BZ2
To Be Published
8G66
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BU of 8g66 by Molmil
Structure with SJ3149
Descriptor: (3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione, Casein kinase I isoform alpha, DNA damage-binding protein 1, ...
Authors:Miller, D.J, Young, S.M, Fischer, M.
Deposit date:2023-02-14
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structure of ternary complex with molecular glue targeting CK1A for degradation by the CRL4CRBN ubiquitin ligase
To Be Published
7ULK
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BU of 7ulk by Molmil
Human TRAP1 NM in complex with 42C
Descriptor: CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ...
Authors:Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
Deposit date:2022-04-05
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
7ULJ
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BU of 7ulj by Molmil
Hsp90b N-terminal domain in complex with 42C
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ...
Authors:Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
Deposit date:2022-04-05
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
7ULL
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BU of 7ull by Molmil
Human Grp94 N-terminal domain in complex with 42C
Descriptor: DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ...
Authors:Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
Deposit date:2022-04-05
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
4V7G
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BU of 4v7g by Molmil
Crystal Structure of Lumazine Synthase from Bacillus Anthracis
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
Authors:Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R.
Deposit date:2009-09-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 66, 2010
1FB1
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BU of 1fb1 by Molmil
CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I
Descriptor: GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION
Authors:Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A.
Deposit date:2000-07-14
Release date:2000-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
1FBX
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BU of 1fbx by Molmil
CRYSTAL STRUCTURE OF ZINC-CONTAINING E.COLI GTP CYCLOHYDROLASE I
Descriptor: CHLORIDE ION, GTP CYCLOHYDROLASE I, ZINC ION
Authors:Auerbach, G, Herrmann, A, Bracher, A, Bader, A, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A.
Deposit date:2000-07-17
Release date:2001-02-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
1EJB
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BU of 1ejb by Molmil
LUMAZINE SYNTHASE FROM SACCHAROMYCES CEREVISIAE
Descriptor: 5-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-PENTYL-PHOSPHONIC ACID, LUMAZINE SYNTHASE
Authors:Meining, W, Mortl, S, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2000-03-02
Release date:2001-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The atomic structure of pentameric lumazine synthase from Saccharomyces cerevisiae at 1.85 A resolution reveals the binding mode of a phosphonate intermediate analogue.
J.Mol.Biol., 299, 2000
4W55
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BU of 4w55 by Molmil
T4 Lysozyme L99A with n-Propylbenzene Bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6401 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W58
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BU of 4w58 by Molmil
T4 Lysozyme L99A with n-Pentylbenzene Bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W51
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BU of 4w51 by Molmil
T4 Lysozyme L99A with No Ligand Bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W53
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BU of 4w53 by Molmil
T4 Lysozyme L99A with Toluene Bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, TOLUENE
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W56
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BU of 4w56 by Molmil
T4 Lysozyme L99A with sec-Butylbenzene Bound
Descriptor: (2R)-butan-2-ylbenzene, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W59
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BU of 4w59 by Molmil
T4 Lysozyme L99A with n-Hexylbenzene Bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, hexylbenzene
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W52
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BU of 4w52 by Molmil
T4 Lysozyme L99A with Benzene Bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5001 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W54
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BU of 4w54 by Molmil
T4 Lysozyme L99A with Ethylbenzene Bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7901 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W57
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BU of 4w57 by Molmil
T4 Lysozyme L99A with n-Butylbenzene Bound
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE
Authors:Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
Deposit date:2014-08-16
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6801 Å)
Cite:Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015

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數據於2024-06-05公開中

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