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4CDF
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BU of 4cdf by Molmil
Human DPP1 in complex with (2S,4S)-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)-4-hydroxy-piperidine-2-carboxamide
Descriptor: (2S,4S)-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDC
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BU of 4cdc by Molmil
Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide
Descriptor: (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDD
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BU of 4cdd by Molmil
Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide
Descriptor: (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDE
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BU of 4cde by Molmil
Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ...
Authors:Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CP3
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BU of 4cp3 by Molmil
The structure of BCL6 BTB (POZ) domain in complex with the ansamycin antibiotic rifabutin.
Descriptor: B-CELL LYMPHOMA 6 PROTEIN, RIFABUTIN
Authors:Evans, S.E, Fairall, L, Goult, B.T, Jamieson, A.G, Ferrigno, P.K, Ford, R, Wagner, S.D, Schwabe, J.W.R.
Deposit date:2014-01-31
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Ansamycin Antibiotic, Rifamycin Sv, Inhibits Bcl6 Transcriptional Repression and Forms a Complex with the Bcl6-Btb/Poz Domain.
Plos One, 9, 2014
6U38
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BU of 6u38 by Molmil
PCSK9 in complex with a Fab and compound 8
Descriptor: 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
Authors:Lu, J, Soisson, S.
Deposit date:2019-08-21
Release date:2019-11-06
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U2N
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BU of 6u2n by Molmil
PCSK9 in complex with compound 4
Descriptor: 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
Authors:Lu, J, Soisson, S.
Deposit date:2019-08-20
Release date:2019-11-06
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U36
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BU of 6u36 by Molmil
PCSK9 in complex with a Fab and compound 14
Descriptor: 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
Authors:Lu, J, Soisson, S.
Deposit date:2019-08-21
Release date:2019-11-06
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U3X
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BU of 6u3x by Molmil
PCSK9 in complex with compound 2
Descriptor: 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9
Authors:Lu, J, Soisson, S.
Deposit date:2019-08-22
Release date:2019-11-06
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U26
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BU of 6u26 by Molmil
PCSK9 in complex with compound 16
Descriptor: 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2019-08-19
Release date:2019-11-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U2P
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BU of 6u2p by Molmil
PCSK9 in complex with compound 5
Descriptor: 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
Authors:Lu, J, Soisson, S.
Deposit date:2019-08-20
Release date:2019-11-06
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
1K24
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BU of 1k24 by Molmil
Crystal Structure of the OpcA Outer Membrane Adhesin/Invasin from Neisseria meningitidis
Descriptor: PENTAETHYLENE GLYCOL, ZINC ION, outer membrane protein
Authors:Prince, S.M, Achtman, M, Derrick, J.P.
Deposit date:2001-09-26
Release date:2002-03-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of the OpcA integral membrane adhesin from Neisseria meningitidis.
Proc.Natl.Acad.Sci.USA, 99, 2002

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