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PDB: 913 results
5P4C
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BU of 5p4c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 201
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 (1.257 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2A
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BU of 5p2a by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 128
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 (1.373 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2O
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BU of 5p2o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 142
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 (1.119 Å)
Cite: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
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 (1.13 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P31
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BU of 5p31 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 154
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 (1.249 Å)
Cite: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
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 (1.299 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3H
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BU of 5p3h by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 170
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 (1.389 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3Y
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BU of 5p3y by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 187
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 (1.219 Å)
Cite: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
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 (1.259 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4D
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BU of 5p4d by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 202
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 (1.247 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P60
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BU of 5p60 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 261
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 (1.238 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4S
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BU of 5p4s by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 217
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 (1.308 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6I
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BU of 5p6i by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 279
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 (1.198 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P57
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BU of 5p57 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 232
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 (1.418 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5M
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BU of 5p5m by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 247
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 (1.18 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P71
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BU of 5p71 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 298
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 (1.03 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P61
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BU of 5p61 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 262
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
5ZR8
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BU of 5zr8 by Molmil
Crystal Structure Of NDM-1 Metallo-beta-lactamase
Descriptor: Beta-lactamase, SULFATE ION, ZINC ION
Authors:Wachino, J.
Deposit date:2018-04-23
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure Of NDM-1 Metallo-beta-lactamase
To Be Published
5X5G
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BU of 5x5g by Molmil
Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with OP0595
Descriptor: (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, SODIUM ION, ...
Authors:Wachino, J, Jin, W, Arakawa, Y.
Deposit date:2017-02-15
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
5Y5B
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BU of 5y5b by Molmil
Crystal Structure Of IMP-1 Metallo-beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:Wachino, J.
Deposit date:2017-08-08
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
5LWU
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BU of 5lwu by Molmil
Structure resulting from an endothiapepsin crystal soaked with a dimeric derivative of fragment 177
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LWT
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BU of 5lwt by Molmil
Endothiapepsin in complex with a methoxylated derivative of fragment 177
Descriptor: 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
7O31
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BU of 7o31 by Molmil
Crystal structure of the anti-PAS Fab 1.2 in complex with its epitope peptide and the anti-Kappa VHH domain
Descriptor: 1,2-ETHANEDIOL, PAS#1 epitope peptide, anti-Kappa VHH domain, ...
Authors:Schilz, J, Schiefner, A, Skerra, A.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
7O30
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BU of 7o30 by Molmil
Crystal structure of the anti-PAS Fab 1.1 in complex with its epitope peptide
Descriptor: PAS#1 epitope peptide, anti-PAS Fab 1.1 chimeric heavy chain, anti-PAS Fab 1.1 chimeric light chain
Authors:Schilz, J, Schiefner, A, Skerra, A.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
5DR1
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BU of 5dr1 by Molmil
Endothiapepsin in complex with fragment 278
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published

222036

PDB entries from 2024-07-03

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