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5FDR
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BU of 5fdr by Molmil
Mcl-1 complexed with small molecule inhibitor
Descriptor: 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2015-12-16
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
5FC4
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BU of 5fc4 by Molmil
Mcl-1 complexed with small molecule inhibitor
Descriptor: 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2015-12-14
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
7UHE
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BU of 7uhe by Molmil
Taf14 ET domain in complex with C-terminal tail of Taf2
Descriptor: C-terminal tail of Transcription initiation factor TFIID subunit 2, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2022-03-26
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Taf2 mediates DNA binding of Taf14.
Nat Commun, 13, 2022
7UAS
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BU of 7uas by Molmil
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
Descriptor: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, WD repeat-containing protein 5
Authors:Zhao, B.
Deposit date:2022-03-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
5T5K
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BU of 5t5k by Molmil
Structure of histone-based chromatin in Archaea
Descriptor: CACODYLATE ION, DNA (90-MER), DNA-binding protein HMf-2
Authors:Bhattacharyya, S, Mattiroli, F, Dyer, P.N, Sandman, K, Reeve, J.N, Luger, K.
Deposit date:2016-08-31
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of histone-based chromatin in Archaea.
Science, 357, 2017
6CUR
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BU of 6cur by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CUP
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BU of 6cup by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CUO
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BU of 6cuo by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
2JPN
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BU of 2jpn by Molmil
Solution Structure of T4 Bacteriophage Helicase Uvsw.1
Descriptor: ATP-dependent DNA helicase uvsW
Authors:Sivakolundu, S.G, Lee, T, White, S.W, Kriwacki, R.W.
Deposit date:2007-05-17
Release date:2007-07-10
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Crystallographic and NMR Analyses of UvsW and UvsW.1 from Bacteriophage T4
J.Biol.Chem., 282, 2007
6E7G
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BU of 6e7g by Molmil
Crystal structure of H5 hemagglutinin mutant Y161A from A/Viet Nam/1203/2004 H5N1 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Tzarum, N, Wilson, I.A.
Deposit date:2018-07-26
Release date:2019-06-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.094 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
6E7H
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BU of 6e7h by Molmil
Crystal structure of H5 hemagglutinin mutant Y161A from A/Viet Nam/1203/2004 H5N1 influenza virus in complex with 3'-GcLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Tzarum, N, Wilson, I.A.
Deposit date:2018-07-26
Release date:2019-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
3ZCH
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BU of 3zch by Molmil
Ascorbate peroxidase W41A-H42M mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ...
Authors:Gumiero, A, Raven, E.L, Moody, P.C.E.
Deposit date:2012-11-20
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Conformational Mobility of the Active Site of Ascorbate Peroxidase
Dalton Trans, 42, 2013
3ZCY
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BU of 3zcy by Molmil
Ascorbate peroxidase W41A-H42Y mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ...
Authors:Gumiero, A, Raven, E.L, Moody, P.C.E.
Deposit date:2012-11-23
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Conformational Mobility of the Active Site of Ascorbate Peroxidase
Dalton Trans, 42, 2013
3ZHA
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BU of 3zha by Molmil
Molecular basis for the action of the collagen-specific chaperone Hsp47 SERPINH1 and its structure-specific client recognition.
Descriptor: COLLAGEN MODEL PEPTIDE 18-T8R11, HSP47, SUCCINIC ACID
Authors:Widmer, C, Gebauer, J.M, Baumann, U.
Deposit date:2012-12-20
Release date:2013-01-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition.
Proc.Natl.Acad.Sci.USA, 109, 2012
5UK3
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BU of 5uk3 by Molmil
Crystal structure of cyanase from T. urticae
Descriptor: Uncharacterized protein
Authors:Schlachter, C.R, Chruszcz, M.
Deposit date:2017-01-19
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Characterization of a Eukaryotic Cyanase from Tetranychus urticae.
J. Agric. Food Chem., 65, 2017
6N5A
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BU of 6n5a by Molmil
Crystal structure of an equine H7 hemagglutinin from A/equine/NY/49/73 (H7N7)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2018-11-21
Release date:2019-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
5VG2
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BU of 5vg2 by Molmil
Intradiol ring-cleavage Dioxygenase from Tetranychus urticae
Descriptor: CACODYLATE ION, FE (III) ION, Intradiol ring-cleavage Dioxygenase
Authors:Schlachter, C, Klapper, V, Chruszcz, M.
Deposit date:2017-04-10
Release date:2018-04-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
6BDJ
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BU of 6bdj by Molmil
Crystal structure of dioxygenase Tetur07g02040
Descriptor: FE (III) ION, Tetur07g02040
Authors:Daneshian, L, Schlachter, C.R, Chruszcz, M.
Deposit date:2017-10-23
Release date:2018-11-14
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
3ZCG
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BU of 3zcg by Molmil
Ascorbate peroxidase W41A-H42C mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ...
Authors:Gumiero, A, Raven, E.L, Moody, P.C.E.
Deposit date:2012-11-20
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Probing the Conformational Mobility of the Active Site of a Heme Peroxidase.
Dalton Trans, 42, 2013
2L2S
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BU of 2l2s by Molmil
Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with 1-{[(4-methylphenyl)thio]acetyl}piperidine
Descriptor: 1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine, Peptidyl-prolyl cis-trans isomerase
Authors:Zheng, S, Barnwal, R, Leeper, T, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-27
Release date:2010-09-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with 1-{[(4-methylphenyl)thio]acetyl}piperidine
To be Published
2KO7
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BU of 2ko7 by Molmil
Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with Cycloheximide-N-ethylethanoate
Descriptor: Peptidyl-prolyl cis-trans isomerase, ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate
Authors:Zheng, S, Leeper, T, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-11
Release date:2009-09-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The structure of a Burkholderia pseudomallei immunophilin-inhibitor complex reveals new approaches to antimicrobial development.
Biochem.J., 437, 2011
2KE0
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BU of 2ke0 by Molmil
Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Zheng, S, Leeper, T, Napuli, A, Nakazawa, S.H, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-01-21
Release date:2009-03-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The structure of a Burkholderia pseudomallei immunophilin-inhibitor complex reveals new approaches to antimicrobial development.
Biochem.J., 437, 2011
7BFI
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BU of 7bfi by Molmil
A double-histidine mutant of HSP47 slows down client release at low pH
Descriptor: 15R8 collagen model peptide, Collagen-binding protein
Authors:Oecal, S, Baumann, U.
Deposit date:2021-01-03
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Collagen's primary structure determines collagen:HSP47 complex stoichiometry.
J.Biol.Chem., 297, 2021

226707

数据于2024-10-30公开中

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