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2GUI
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BU of 2gui by Molmil
Structure and Function of Cyclized Versions of the Proofreading Exonuclease Subunit of E. coli DNA Polymerase III
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA polymerase III epsilon subunit, ...
Authors:Park, A.Y, Carr, P.D, Ollis, D.L, Dixon, N.E.
Deposit date:2006-04-30
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and Function of Cyclized Versions of the Proofreading Exonuclease Subunit E. coli DNA Polymerase III
To be Published
2AXD
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BU of 2axd by Molmil
solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit
Descriptor: DNA polymerase III, theta subunit
Authors:Keniry, M.A, Park, A.Y, Owen, E.A, Hamdan, S.M, Pintacuda, G, Otting, G, Dixon, N.E.
Deposit date:2005-09-05
Release date:2006-07-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the theta subunit of Escherichia coli DNA polymerase III in complex with the epsilon subunit
J.Bacteriol., 188, 2006
5TK0
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BU of 5tk0 by Molmil
Lysozyme structure collected with 3D printed polymer mounts
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Kilah, N.L, MacDonald, N, Bunton, G, Park, A.Y, Breadmore, M.C.
Deposit date:2016-10-06
Release date:2017-04-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.
Anal. Chem., 89, 2017
5MB0
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BU of 5mb0 by Molmil
Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin
Descriptor: 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Comparison of cocktail versus single soaking experimets
To Be Published
4B2T
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BU of 4b2t by Molmil
The crystal structures of the eukaryotic chaperonin CCT reveal its functional partitioning
Descriptor: T-COMPLEX PROTEIN 1 SUBUNIT ALPHA, T-COMPLEX PROTEIN 1 SUBUNIT BETA, T-COMPLEX PROTEIN 1 SUBUNIT DELTA, ...
Authors:Kalisman, N, Schroeder, G.F, Levitt, M.
Deposit date:2012-07-17
Release date:2013-03-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:The Crystal Structures of the Eukaryotic Chaperonin Cct Reveal its Functional Partitioning
Structure, 21, 2013
2XSM
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BU of 2xsm by Molmil
Crystal structure of the mammalian cytosolic chaperonin CCT in complex with tubulin
Descriptor: CCT
Authors:Munoz, I.G, Yebenes, H, Zhou, M, Mesa, P, Serna, M, Bragado-Nilsson, E, Beloso, A, Robinson, C.V, Valpuesta, J.M, Montoya, G.
Deposit date:2010-10-29
Release date:2010-12-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Crystal Structure of the Open Conformation of the Mammalian Chaperonin Cct in Complex with Tubulin.
Nat.Struct.Mol.Biol., 18, 2011
3WZ8
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BU of 3wz8 by Molmil
Endothiapepsin in complex with Gewald reaction-derived inhibitor (8)
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
3WZ7
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BU of 3wz7 by Molmil
Endothiapepsin in complex with Gewald reaction-derived inhibitor (6)
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
3WZ6
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BU of 3wz6 by Molmil
Endothiapepsin in complex with Gewald reaction-derived inhibitor (5)
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-09-19
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
3PSY
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BU of 3psy by Molmil
Endothiapepsin in complex with an inhibitor based on the Gewald reaction
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
3OQ9
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BU of 3oq9 by Molmil
Structure of the FAS/FADD death domain assembly
Descriptor: Protein FADD, Tumor necrosis factor receptor superfamily member 6
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2010-09-02
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6.8 Å)
Cite:The Fas-FADD death domain complex structure reveals the basis of DISC assembly and disease mutations.
Nat.Struct.Mol.Biol., 17, 2010
3RIU
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BU of 3riu by Molmil
Crystal structure of Drosophila hexameric C3PO formed by truncated Translin and Trax
Descriptor: Translin, Translin associated factor X, isoform B
Authors:Tian, Y, Simanshu, D.K, Patel, D.J.
Deposit date:2011-04-14
Release date:2011-05-11
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Multimeric assembly and biochemical characterization of the Trax-translin endonuclease complex.
Nat.Struct.Mol.Biol., 18, 2011
5P27
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BU of 5p27 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 125
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2M
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BU of 5p2m by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 140
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.089 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P85
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BU of 5p85 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 338
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.229 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8K
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BU of 5p8k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 353
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.259 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P33
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BU of 5p33 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 156
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3J
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BU of 5p3j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 172
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.339 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3X
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BU of 5p3x by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 186
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4B
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BU of 5p4b by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 200
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4Q
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BU of 5p4q by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 215
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P56
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BU of 5p56 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 231
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5L
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BU of 5p5l by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 246
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.725 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5Z
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BU of 5p5z by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 260
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.169 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6E
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BU of 5p6e by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 275
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.209 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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数据于2024-10-30公开中

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