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8TU4
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BU of 8tu4 by Molmil
Bruton's tyrosine kinase in complex with covalent inhibitor compound 25
Descriptor: N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK
Authors:Metrick, C.M.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
6B36
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BU of 6b36 by Molmil
Crystal Structure of HIV Protease complexed with (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide, CHLORIDE ION, HIV-1 Protease
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3C
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BU of 6b3c by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3H
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BU of 6b3h by Molmil
Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3F
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BU of 6b3f by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B38
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BU of 6b38 by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3G
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BU of 6b3g by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
4FE1
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BU of 4fe1 by Molmil
Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
Deposit date:2012-05-29
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.9228 Å)
Cite:Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
5M62
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BU of 5m62 by Molmil
Structure of the Mus musclus Langerin carbohydrate recognition domain in complex with glucose
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ...
Authors:Loll, B, Aretz, J, Rademacher, C, Wahl, M.C.
Deposit date:2016-10-24
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017
3GK9
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BU of 3gk9 by Molmil
Crystal structure of murine Ngb under Xe pressure
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Moschetti, T, Mueller, U, Schultze, J, Brunori, M, Vallone, B.
Deposit date:2009-03-10
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of neuroglobin at high Xe and Kr pressure reveals partial conservation of globin internal cavities.
Biophys. J., 97, 2009
3GKT
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BU of 3gkt by Molmil
Crystal structure of murine neuroglobin under Kr pressure
Descriptor: KRYPTON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Moschetti, T, Mueller, U, Schultze, J, Brunori, M, Vallone, B.
Deposit date:2009-03-11
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The structure of neuroglobin at high Xe and Kr pressure reveals partial conservation of globin internal cavities.
Biophys. J., 97, 2009
3GLN
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BU of 3gln by Molmil
Carbonmonoxy Ngb under Xenon pressure
Descriptor: CARBON MONOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Moschetti, T, Mueller, U, Schultze, J, Brunori, M, Vallone, B.
Deposit date:2009-03-12
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structure of neuroglobin at high Xe and Kr pressure reveals partial conservation of globin internal cavities.
Biophys. J., 97, 2009
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