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5MO4
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BU of 5mo4 by Molmil
ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib
Descriptor: Nilotinib, Tyrosine-protein kinase ABL1, asciminib
Authors:Cowan-Jacob, S.W.
Deposit date:2016-12-13
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.
Nature, 543, 2017
1RMQ
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BU of 1rmq by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase with osmiate mimicking the catalytic intermediate
Descriptor: COBALT (II) ION, Class B acid phosphatase, OSMIUM ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1RMY
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BU of 1rmy by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with deoxycytosine and phosphate bound to the catalytic metal
Descriptor: 2'-DEOXYCYTIDINE, Class B acid phosphatase, MAGNESIUM ION, ...
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
4Q08
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BU of 4q08 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-01
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4Q0L
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BU of 4q0l by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
Descriptor: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-02
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4PZH
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BU of 4pzh by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-03-31
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
1A4U
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BU of 1a4u by Molmil
ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS
Descriptor: ALCOHOL DEHYDROGENASE
Authors:Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
Deposit date:1998-02-05
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The refined crystal structure of Drosophila lebanonensis alcohol dehydrogenase at 1.9 A resolution.
J.Mol.Biol., 282, 1998
1J7A
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BU of 1j7a by Molmil
STRUCTURE OF THE ANABAENA FERREDOXIN D68K MUTANT
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
Authors:Hurley, J.K, Weber-Main, A.M, Stankovich, M.T, Benning, M.M, Thoden, J.B, VanHooke, J.L, Holden, H.M, Chae, Y.K, Xia, B, Cheng, H, Markley, J.L, Martinez-Julvez, M, Gomez-Moreno, C, Schmeits, J.L, Tollen, G.
Deposit date:2001-05-16
Release date:2001-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
7S7I
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BU of 7s7i by Molmil
Crystal structure of Fab in complex with MICA alpha3 domain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ...
Authors:Lee, P.S, Strop, P.
Deposit date:2021-09-16
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residue-Level Characterization of Antibody Binding Epitopes Using Carbene Chemical Footprinting.
Anal.Chem., 95, 2023
4G11
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BU of 4g11 by Molmil
X-ray structure of PI3K-gamma bound to a 4-(morpholin-4-yl)- (6-oxo-1,6-dihydropyrimidin-2-yl)amide inhibitor
Descriptor: 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Morales, R.
Deposit date:2012-07-10
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Preparation and optimization of new 4-(morpholin-4-yl)-(6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives as PI3K beta inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
4OOE
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BU of 4ooe by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203Y mutant bound to fosmidomycin and NADPH
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
Authors:Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M.
Deposit date:2014-01-31
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.826 Å)
Cite:Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin.
Biochemistry, 53, 2014
3VEM
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BU of 3vem by Molmil
Structural basis of transcriptional gene silencing mediated by Arabidopsis MOM1
Descriptor: Helicase protein MOM1
Authors:Nishikura, T, Petty, T.J, Halazonetis, T, Paszkowski, J, Thore, S.
Deposit date:2012-01-09
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis of Transcriptional Gene Silencing Mediated by Arabidopsis MOM1.
PLOS GENET., 8, 2012
1QOG
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BU of 1qog by Molmil
FERREDOXIN MUTATION S47A
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN, SULFATE ION
Authors:Holden, H.M, Benning, M.M.
Deposit date:1997-08-14
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
1QOF
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BU of 1qof by Molmil
FERREDOXIN MUTATION Q70K
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN, SULFATE ION
Authors:Holden, H.M, Benning, M.M.
Deposit date:1997-08-14
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
3EFY
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BU of 3efy by Molmil
Structure of the Cyclomodulin Cif from Pathogenic Escherichia coli
Descriptor: Cif (Cell cycle inhibiting factor)
Authors:Stebbins, C.E, Hsu, Y.
Deposit date:2008-09-10
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the cyclomodulin Cif from pathogenic Escherichia coli.
J.Mol.Biol., 384, 2008
4AIF
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BU of 4aif by Molmil
AIP TPR domain in complex with human Hsp90 peptide
Descriptor: AH RECEPTOR-INTERACTING PROTEIN, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION
Authors:Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C.
Deposit date:2012-02-09
Release date:2013-01-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition.
Plos One, 7, 2012
4APO
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BU of 4apo by Molmil
AIP TPR domain in complex with human Tomm20 peptide
Descriptor: AH RECEPTOR-INTERACTING PROTEIN, DODECAETHYLENE GLYCOL, MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20 HOMOLOG, ...
Authors:Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C.
Deposit date:2012-04-04
Release date:2013-01-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition.
Plos One, 7, 2012
7SU1
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BU of 7su1 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ...
Authors:Lee, P.S, Chau, B, Strop, P.
Deposit date:2021-11-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
7SU0
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BU of 7su0 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ...
Authors:Lee, P.S, Chau, B, Strop, P.
Deposit date:2021-11-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
6WCZ
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BU of 6wcz by Molmil
CryoEM structure of full-length ZIKV NS5-hSTAT2 complex
Descriptor: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION
Authors:Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S.
Deposit date:2020-03-31
Release date:2020-07-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
1IJ8
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BU of 1ij8 by Molmil
CRYSTAL STRUCTURE OF LITE AVIDIN-BNI COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, AVIDIN
Authors:Livnah, O, Huberman, T.
Deposit date:2001-04-25
Release date:2001-09-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chicken avidin exhibits pseudo-catalytic properties. Biochemical, structural, and electrostatic consequences.
J.Biol.Chem., 276, 2001
1IGU
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BU of 1igu by Molmil
C-terminal Domain of the Transcriptional Repressor Protein KorB
Descriptor: Transcriptional repressor protein KorB
Authors:Delbruck, H, Heinemann, U.
Deposit date:2001-04-18
Release date:2002-02-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Src homology 3-like domain is responsible for dimerization of the repressor protein KorB encoded by the promiscuous IncP plasmid RP4.
J.Biol.Chem., 277, 2002
1I9H
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BU of 1i9h by Molmil
CORE STREPTAVIDIN-BNA COMPLEX
Descriptor: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, STREPTAVIDIN
Authors:Livnah, O, Huberman, T, Wilchek, M, Bayer, E.A, Eisenberg-Domovich, Y.
Deposit date:2001-03-20
Release date:2001-09-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chicken avidin exhibits pseudo-catalytic properties. Biochemical, structural, and electrostatic consequences.
J.Biol.Chem., 276, 2001
7KHD
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BU of 7khd by Molmil
Human GITR-GITRL complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18
Authors:Wang, F, Chau, B, West, S.M, Strop, P.
Deposit date:2020-10-21
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.956102 Å)
Cite:Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
7KHX
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BU of 7khx by Molmil
Mouse GITR-GITRL complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, ...
Authors:Wang, F, Chau, B, West, S.M, Strop, P.
Deposit date:2020-10-22
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.20569849 Å)
Cite:Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021

224004

數據於2024-08-21公開中

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