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4EL6
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BU of 4el6 by Molmil
Crystal structure of IPSE/alpha-1 from Schistosoma mansoni eggs
Descriptor: IL-4-inducing protein
Authors:Mayerhofer, H, Meyer, H, Tripsianes, K, Barths, D, Blindow, S, Bade, S, Madl, T, Frey, A, Haas, H, Sattler, M, Schramm, G, Mueller-Dieckmann, J.
Deposit date:2012-04-10
Release date:2013-04-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure and functional analysis of IPSE/alpha-1, an IL-4-inducing factor secreted from Schistosoma mansoni eggs, reveals an IgE-binding crystallin fold
To be Published
5E7Y
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BU of 5e7y by Molmil
Crystal structure of P450 BM3 heme domain M7 variant
Descriptor: Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U.
Deposit date:2015-10-13
Release date:2017-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of P450 BM3 heme domain M7 variant
To Be Published
5E78
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BU of 5e78 by Molmil
Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep
Descriptor: 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ...
Authors:Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U.
Deposit date:2015-10-12
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase.
Biochim. Biophys. Acta, 1866, 2018
4EQL
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BU of 4eql by Molmil
Crystal Structure of GH3.12 in complex with AMP and salicylate
Descriptor: 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE
Authors:Westfall, C, Zubieta, C, Nanao, M, Herrmann, J, Jez, J.
Deposit date:2012-04-19
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
4FEL
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BU of 4fel by Molmil
Crystal structure of the U25A/A46G mutant of the xpt-pbuX guanine riboswitch aptamer domain in complex with hypoxanthine
Descriptor: ACETATE ION, COBALT HEXAMMINE(III), HYPOXANTHINE, ...
Authors:Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T.
Deposit date:2012-05-30
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch.
J.Mol.Biol., 425, 2013
4EPM
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BU of 4epm by Molmil
Crystal Structure of Arabidopsis GH3.12 (PBS3) in Complex with AMP
Descriptor: 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE, SULFATE ION
Authors:Westfall, C.S, Zubieta, C, Herrmann, J, Kapp, U, Nanao, M.H, Jez, J.M.
Deposit date:2012-04-17
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
4EPL
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BU of 4epl by Molmil
Crystal Structure of Arabidopsis thaliana GH3.11 (JAR1) in Complex with JA-Ile
Descriptor: Jasmonic acid-amido synthetase JAR1, N-({(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine
Authors:Westfall, C.S, Zubieta, C, Herrmann, J, Kapp, U, Nanao, M.H, Jez, J.M.
Deposit date:2012-04-17
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
Descriptor: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
Authors:Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
Deposit date:2024-04-25
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
7JQM
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BU of 7jqm by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with Bac7-002, mRNA, and deacylated P-site tRNA at 3.05A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Mardirossian, M, Sola, R, Beckert, B, Valencic, E, Collis, D.W.P, Borisek, J, Armas, F, Di Stasi, A, Buchmann, J, Syroegin, E.A, Polikanov, Y.S, Magistrato, A, Hilpert, K, Wilson, D.N, Scocchi, M.
Deposit date:2020-08-11
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Peptide Inhibitors of Bacterial Protein Synthesis with Broad Spectrum and SbmA-Independent Bactericidal Activity against Clinical Pathogens.
J.Med.Chem., 63, 2020
7JQL
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BU of 7jql by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with Bac7-001, mRNA, and deacylated P-site tRNA at 3.00A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Mardirossian, M, Sola, R, Beckert, B, Valencic, E, Collis, D.W.P, Borisek, J, Armas, F, Di Stasi, A, Buchmann, J, Syroegin, E.A, Polikanov, Y.S, Magistrato, A, Hilpert, K, Wilson, D.N, Scocchi, M.
Deposit date:2020-08-11
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Peptide Inhibitors of Bacterial Protein Synthesis with Broad Spectrum and SbmA-Independent Bactericidal Activity against Clinical Pathogens.
J.Med.Chem., 63, 2020
4U77
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BU of 4u77 by Molmil
BTB domain from Drosophila CP190
Descriptor: Centrosome-associated zinc finger protein CP190, DIMETHYL SULFOXIDE, GLYCEROL
Authors:Allemand, F, Cohen-Gonsaud, M, Labesse, G, Nollmann, M.
Deposit date:2014-07-30
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Chromatin Insulator Factors Involved in Long-Range DNA Interactions and Their Role in the Folding of the Drosophila Genome.
Plos Genet., 10, 2014
2QCF
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BU of 2qcf by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 5-fluoro-UMP
Descriptor: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCE
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BU of 2qce by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to sulfate, glycerol, and chloride
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCC
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BU of 2qcc by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase, apo form
Descriptor: GLYCEROL, Orotidine 5'- phosphate decarboxylase (OMPdecase), SULFATE ION
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCL
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BU of 2qcl by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to OMP
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCM
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BU of 2qcm by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 6-hydroxymethyl-UMP
Descriptor: 6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE), Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCH
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BU of 2qch by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to 5-iodo-UMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, IODIDE ION, ...
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCG
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BU of 2qcg by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to 5-bromo-UMP
Descriptor: 5-BROMO-URIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCN
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BU of 2qcn by Molmil
Covalent complex of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase with 6-iodo-UMP
Descriptor: GLYCEROL, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCD
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BU of 2qcd by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to UMP
Descriptor: URIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
5D7D
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BU of 5d7d by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5D7R
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BU of 5d7r by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-14
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5DIQ
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BU of 5diq by Molmil
Crystal structure of human FPPS in complex with salicylic acid derivative 3a
Descriptor: 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-01
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJP
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BU of 5djp by Molmil
Crystal structure of human FPPS in complex with biaryl compound 5
Descriptor: 4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJV
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BU of 5djv by Molmil
Crystal structure of human FPPS in complex with biaryl compound 8e
Descriptor: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015

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