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PDB: 182 件
2XWI
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BU of 2xwi by Molmil
SiaP R147K mutant in complex with Neu5Ac
分子名称: N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP
著者Fischer, M, Hubbard, R.E.
登録日2010-11-04
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding.
J.Biol.Chem., 290, 2015
7L38
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BU of 7l38 by Molmil
T4 Lysozyme L99A - Apo - cryo
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3J
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BU of 7l3j by Molmil
T4 Lysozyme L99A - benzylacetate - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3D
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BU of 7l3d by Molmil
T4 Lysozyme L99A - 3-iodotoluene - RT
分子名称: 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3I
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BU of 7l3i by Molmil
T4 Lysozyme L99A - propylbenzene - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endolysin, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L37
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BU of 7l37 by Molmil
T4 Lysozyme L99A - Apo - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.439 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3E
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BU of 7l3e by Molmil
T4 Lysozyme L99A - 3-iodotoluene - cryo
分子名称: 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3B
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BU of 7l3b by Molmil
T4 Lysozyme L99A - iodobenzene - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3H
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BU of 7l3h by Molmil
T4 Lysozyme L99A - ethylbenzene - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3A
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BU of 7l3a by Molmil
T4 Lysozyme L99A - toluene - cryo
分子名称: Endolysin, TOLUENE
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L39
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BU of 7l39 by Molmil
T4 Lysozyme L99A - toluene - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3K
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BU of 7l3k by Molmil
T4 Lysozyme L99A - benzylacetate - cryo
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3F
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BU of 7l3f by Molmil
T4 Lysozyme L99A - 4-iodotoluene - RT
分子名称: 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3C
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BU of 7l3c by Molmil
T4 Lysozyme L99A - o-xylene - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3G
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BU of 7l3g by Molmil
T4 Lysozyme L99A - 4-iodotoluene - cryo
分子名称: 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
4JMW
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BU of 4jmw by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Phenol
分子名称: Cytochrome c peroxidase, PHENOL, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fish, I.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4NVK
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BU of 4nvk by Molmil
Predicting protein conformational response in prospective ligand discovery.
分子名称: Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVN
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BU of 4nvn by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVB
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BU of 4nvb by Molmil
Predicting protein conformational response in prospective ligand discovery.
分子名称: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVM
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BU of 4nvm by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVE
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BU of 4nve by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: BENZIMIDAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVO
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BU of 4nvo by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVJ
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BU of 4nvj by Molmil
Predicting protein conformational response in prospective ligand discovery.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.813 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVG
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BU of 4nvg by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.742 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVC
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BU of 4nvc by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014

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