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5E6C
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BU of 5e6c by Molmil
Glucocorticoid receptor DNA binding domain - CCL2 NF-kB response element complex
分子名称: DNA (5'-D(*AP*GP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*CP*T)-3'), Glucocorticoid receptor, ...
著者Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
登録日2015-10-09
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
2NTV
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BU of 2ntv by Molmil
Mycobacterium leprae InhA bound with PTH-NAD adduct
分子名称: Enoyl-[ACP] reductase, {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Wang, F, Sacchettini, J.C.
登録日2006-11-08
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
2NVD
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BU of 2nvd by Molmil
Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (2)
分子名称: 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Heine, A, Klebe, G.
登録日2006-11-12
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Evidence for a novel binding site conformer of aldose reductase in ligand-bound state
J.Mol.Biol., 369, 2007
3ZFW
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BU of 3zfw by Molmil
Crystal structure of the TPR domain of kinesin light chain 2 in complex with a tryptophan-acidic cargo peptide
分子名称: KINESIN LIGHT CHAIN 2, PLECKSTRIN HOMOLOGY DOMAIN-CONTAINING FAMILY M MEMBER 2
著者Pernigo, S, Lamprecht, A, Steiner, R.A, Dodding, M.P.
登録日2012-12-12
公開日2013-04-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis for Kinesin-1:Cargo Recognition.
Science, 340, 2013
5DMI
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BU of 5dmi by Molmil
Structure of the extracellular domain of the CD40 in complex with CHI220 FAB
分子名称: Chi220 Fab heavy chain, Chi220 Fab light chain, SULFATE ION, ...
著者Sheriff, S.
登録日2015-09-08
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.69 Å)
主引用文献Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
3ZBN
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Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with Coenzyme A.
分子名称: 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, COENZYME A
著者Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
登録日2012-11-11
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
5E4E
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BU of 5e4e by Molmil
Engineered Interleukin-13 bound to receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-13, Interleukin-13 receptor subunit alpha-1, ...
著者Moraga, I, Thomas, C, Jude, K.M, Garcia, K.C.
登録日2015-10-05
公開日2015-12-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Instructive roles for cytokine-receptor binding parameters in determining signaling and functional potency.
Sci.Signal., 8, 2015
5DNC
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BU of 5dnc by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T19A
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
著者Schalk, A.M, Lavie, A.
登録日2015-09-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
5E69
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BU of 5e69 by Molmil
Glucocorticoid receptor DNA binding domain - IL8 NF-kB response element complex
分子名称: DNA (5'-D(*AP*TP*CP*GP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*CP*GP*AP*T)-3'), Glucocorticoid receptor, ...
著者Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
登録日2015-10-09
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
5E6D
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BU of 5e6d by Molmil
Glucocorticoid receptor DNA binding domain - ICAM1 NF-kB response element complex
分子名称: DNA (5'-D(*GP*CP*TP*CP*CP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*GP*GP*AP*GP*C)-3'), Glucocorticoid receptor, ...
著者Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
登録日2015-10-09
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
3ZLN
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BU of 3zln by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 3)
分子名称: 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ...
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZBG
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BU of 3zbg by Molmil
Crystal structure of wild-type SCP2 thiolase from Leishmania mexicana at 1.85 A
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, DIMETHYL SULFOXIDE
著者Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
登録日2012-11-09
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
3ZG2
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BU of 3zg2 by Molmil
Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO)
分子名称: (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I.
登録日2012-12-14
公開日2013-09-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
2NT1
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BU of 2nt1 by Molmil
Structure of acid-beta-glucosidase at neutral pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
著者Lieberman, R.L, Petsko, G.A, Ringe, D.
登録日2006-11-06
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
5DKJ
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BU of 5dkj by Molmil
Yeast 20S proteasome in complex with octreotide-PI
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Beck, P, Cui, H, Groll, M.
登録日2015-09-03
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 2015
2NXL
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BU of 2nxl by Molmil
Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLU-VAL-PHE*TYR-VAL-ASP-GLY-ALA
分子名称: Analogue of RT-RH pol protease substrate peptide, PHOSPHATE ION, PROTEASE RETROPEPSIN
著者Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
登録日2006-11-17
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease
Proteins, 70, 2007
3ZLR
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BU of 3zlr by Molmil
Crystal structure of BCL-XL in complex with inhibitor (WEHI-539)
分子名称: 1,2-ETHANEDIOL, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1, ...
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.026 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZUO
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BU of 3zuo by Molmil
OMCI in complex with leukotriene B4
分子名称: COMPLEMENT INHIBITOR, LEUKOTRIENE B4
著者Roversi, P, Maillet, I, Togbe, D, Couillin, I, Quesniaux, V.F.J, Teixeira, M, Ahmat, N, Lissina, O, Boland, W, Ploss, K, Caesar, J.J.E, Leonhartsberger, S, Ryffel, B, Lea, S.M, Nunn, M.A.
登録日2011-07-19
公開日2012-08-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
J.Biol.Chem., 288, 2013
3ZUI
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BU of 3zui by Molmil
OMCI in complex with palmitoleic acid
分子名称: COMPLEMENT INHIBITOR, PALMITOLEIC ACID
著者Roversi, P, Maillet, I, Togbe, D, Couillin, I, Quesniaux, V.F.J, Teixeira, M, Ahmat, N, Lissina, O, Boland, W, Ploss, K, Caesar, J.J.E, Leonhartsberger, S, Ryffel, B, Lea, S.M, Nunn, M.A.
登録日2011-07-19
公開日2012-08-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
J.Biol.Chem., 288, 2013
2QF6
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BU of 2qf6 by Molmil
HSP90 complexed with A56322
分子名称: 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE, Heat shock protein HSP 90-alpha
著者Park, C.H.
登録日2007-06-26
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
3ZXH
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MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
2QH7
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BU of 2qh7 by Molmil
MitoNEET is a uniquely folded 2Fe-2S outer mitochondrial membrane protein stabilized by pioglitazone
分子名称: FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH-type domain 1
著者Paddock, M.L, Wiley, S.E, Axelrod, H.L, Cohen, A.E, Roy, M, Abresch, E.C, Capraro, D, Murphy, A.N, Nechushtai, R, Dixon, J.E, Jennings, P.A.
登録日2007-06-30
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献MitoNEET is a uniquely folded 2Fe 2S outer mitochondrial membrane protein stabilized by pioglitazone.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QKX
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BU of 2qkx by Molmil
N-acetyl glucosamine 1-phosphate uridyltransferase from Mycobacterium tuberculosis complex with N-acetyl glucosamine 1-phosphate
分子名称: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU
著者Zhang, Z, Squire, C.J, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2007-07-11
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and function of GlmU from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 65, 2009
4BKU
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BU of 4bku by Molmil
Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
著者Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C.
登録日2013-04-29
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
4AWP
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Complex of HSP90 ATPase domain with tropane derived inhibitors
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
著者Lougheed, J.C, Stout, T.J.
登録日2012-06-05
公開日2012-08-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012

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