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4WS5
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BU of 4ws5 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form III
Descriptor: 5-nitrouracil, CHLORIDE ION, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRV
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BU of 4wrv by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form III
Descriptor: CHLORIDE ION, URACIL, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WPL
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BU of 4wpl by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form I
Descriptor: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-20
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRZ
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BU of 4wrz by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form I
Descriptor: 5-FLUOROURACIL, CHLORIDE ION, CITRIC ACID, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.193 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS2
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BU of 4ws2 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form I
Descriptor: 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, CITRIC ACID, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS7
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BU of 4ws7 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-chlorouracil, Form II
Descriptor: 1,2-ETHANEDIOL, 5-chloropyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4YPQ
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BU of 4ypq by Molmil
Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma
Authors:Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L.
Deposit date:2015-03-13
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
7NUS
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BU of 7nus by Molmil
X-RAY STRUCTURE OF HDM2/CMR19 AT 1.45A: Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ...
Authors:Kallen, J.
Deposit date:2021-03-13
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors.
Rsc Chem Biol, 2, 2021
8RPK
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BU of 8rpk by Molmil
AMP-forming Acetyl-CoA synthetase from Chloroflexota bacterium without bound ligand
Descriptor: Acetate--CoA ligase, MAGNESIUM ION, POTASSIUM ION
Authors:Striska, K, Palm, G.J, Lammers, M.
Deposit date:2024-01-16
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.615 Å)
Cite:Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule.
Nat Commun, 15, 2024
2VJF
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BU of 2vjf by Molmil
Crystal Structure of the MDM2-MDMX RING Domain Heterodimer
Descriptor: CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ...
Authors:Mace, P.D, Linke, K, Smith, C.A, Day, C.L.
Deposit date:2007-12-10
Release date:2008-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Mdm2/Mdmx Ring Domain Heterodimer Reveals Dimerization is Required for Their Ubiquitylation in Trans.
Cell Death Differ., 15, 2008
1A71
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BU of 1a71 by Molmil
TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL
Descriptor: LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
Authors:Colby, T.D, Bahnson, B.J, Chin, J.K, Klinman, J.P, Goldstein, B.M.
Deposit date:1998-03-19
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes.
Biochemistry, 37, 1998
4E2J
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BU of 4e2j by Molmil
X-Ray Crystal Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with mometasone furoate and TIF-2 coactivator fragment
Descriptor: Ancestral Glucocorticoid Receptor 2, FORMIC ACID, GLYCEROL, ...
Authors:Kohn, J.A, Deshpande, K, Ortlund, E.A.
Deposit date:2012-03-08
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Deciphering Modern Glucocorticoid Cross-pharmacology Using Ancestral Corticosteroid Receptors.
J.Biol.Chem., 287, 2012
4WPK
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BU of 4wpk by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form I
Descriptor: CITRIC ACID, SODIUM ION, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-20
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4DMA
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BU of 4dma by Molmil
Crystal structure of ERa LBD in complex with RU100132
Descriptor: 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol, Estrogen receptor, Nuclear receptor coactivator 1
Authors:Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D.
Deposit date:2012-02-07
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors.
Proc.Natl.Acad.Sci.USA, 109, 2012
1MD9
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BU of 1md9 by Molmil
CRYSTAL STRUCTURE OF DhbE IN COMPLEX WITH DHB AND AMP
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, 2,3-dihydroxybenzoate-AMP ligase, ADENOSINE MONOPHOSPHATE
Authors:May, J.J, Kessler, N, Marahiel, M.A, Stubbs, M.T.
Deposit date:2002-08-07
Release date:2002-09-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of DhbE, an archetype for aryl acid activating domains of modular nonribosomal peptide synthetases.
Proc.Natl.Acad.Sci.USA, 99, 2002
1QE0
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BU of 1qe0 by Molmil
CRYSTAL STRUCTURE OF APO S. AUREUS HISTIDYL-TRNA SYNTHETASE
Descriptor: Histidine--tRNA ligase
Authors:Qiu, X, Janson, C.A, Blackburn, M.N, Chohan, I.K, Hibbs, M, Abdel-Meguid, S.S.
Deposit date:1999-07-12
Release date:2000-07-12
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cooperative structural dynamics and a novel fidelity mechanism in histidyl-tRNA synthetases.
Biochemistry, 38, 1999
2Q7Y
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BU of 2q7y by Molmil
Structure of the endogenous iNKT cell ligand iGb3 bound to mCD1d
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Zajonc, D.M, Wilson, I.A, Teyton, L.
Deposit date:2007-06-07
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Mouse CD1d-iGb3 Complex and its Cognate Valpha14 T Cell Receptor Suggest a Model for Dual Recognition of Foreign and Self Glycolipids.
J.Mol.Biol., 377, 2008
5S52
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BU of 5s52 by Molmil
Tubulin-Z50145861-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, CALCIUM ION, ...
Authors:Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2020-11-08
Release date:2021-06-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5S5S
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BU of 5s5s by Molmil
Tubulin-Z166605480-complex
Descriptor: (1S)-1-(4-fluorophenyl)-N-methylethan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2020-11-08
Release date:2021-06-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5S53
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BU of 5s53 by Molmil
Tubulin-Z1349163663-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide, CALCIUM ION, ...
Authors:Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2020-11-08
Release date:2021-06-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5S5W
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BU of 5s5w by Molmil
Tubulin-Z53860899-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2020-11-08
Release date:2021-06-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5S54
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BU of 5s54 by Molmil
Tubulin-Z2856434816-complex
Descriptor: 1-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]methanamine, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2020-11-08
Release date:2021-06-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5S5U
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BU of 5s5u by Molmil
Tubulin-Z1124201124-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2020-11-08
Release date:2021-06-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5S55
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BU of 5s55 by Molmil
Tubulin-Z106307058-complex
Descriptor: 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2020-11-08
Release date:2021-06-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5S5X
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BU of 5s5x by Molmil
Tubulin-Z45705015-complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2020-11-08
Release date:2021-06-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021

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