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PDB: 913 件

5LWT
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BU of 5lwt by Molmil
Endothiapepsin in complex with a methoxylated derivative of fragment 177
分子名称: 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-09-19
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.069 Å)
主引用文献A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LWU
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BU of 5lwu by Molmil
Structure resulting from an endothiapepsin crystal soaked with a dimeric derivative of fragment 177
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-09-19
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
7ZKP
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BU of 7zkp by Molmil
Late assembly intermediate of the proximal proton pumping module of complex I with assembly factors NDUFAF1 and CIA84
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, ...
著者Schiller, J, Laube, E, Vonck, J, Zickermann, V.
登録日2022-04-13
公開日2022-11-23
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling.
Sci Adv, 8, 2022
7ZKQ
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BU of 7zkq by Molmil
Early Pp module assembly intermediate of complex I
分子名称: CARDIOLIPIN, Complex I intermediate-associated protein 30-domain-containing protein, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Schiller, J, Laube, E, Vonck, J, Zickermann, V.
登録日2022-04-13
公開日2022-11-23
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling.
Sci Adv, 8, 2022
5MNQ
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BU of 5mnq by Molmil
Cationic trypsin in complex with a derivative of N-amidinopiperidine
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Ngo, K, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.337 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5OYQ
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BU of 5oyq by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 1
分子名称: Endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OYY
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BU of 5oyy by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 9
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.447 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZ8
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BU of 5oz8 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 19
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZJ
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BU of 5ozj by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 30
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.489 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZU
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BU of 5ozu by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 41
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.118 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P07
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BU of 5p07 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 54
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0M
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BU of 5p0m by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 69
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.119 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P10
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BU of 5p10 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 83
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1K
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BU of 5p1k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 103
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1Z
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BU of 5p1z by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 118
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.459 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2E
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BU of 5p2e by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 132
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.527 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2S
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BU of 5p2s by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 145
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.078 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P37
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BU of 5p37 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 160
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3K
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BU of 5p3k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 173
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3W
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BU of 5p3w by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 185
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.238 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4C
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BU of 5p4c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 201
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.257 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4R
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BU of 5p4r by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 216
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P55
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BU of 5p55 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 230
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5K
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BU of 5p5k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 245
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.259 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0J
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BU of 5p0j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 66
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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件を2024-09-04に公開中

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