4MYK
 
 | | Crystal structure of Trypanosoma cruzi formiminoglutamase (oxidized) with Mn2+2 at pH 8.5 | | Descriptor: | Formiminoglutamase, MANGANESE (II) ION | | Authors: | Hai, Y, Dugery, R.J, Healy, D, Christianson, D.W. | | Deposit date: | 2013-09-27 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.518 Å) | | Cite: | Formiminoglutamase from trypanosoma cruzi is an arginase-like manganese metalloenzyme.
Biochemistry, 52, 2013
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4MXR
 | | Crystal structure of Trypanosoma cruzi formiminoglutamase with Mn2+2 | | Descriptor: | Formiminoglutamase, GLYCEROL, MANGANESE (II) ION | | Authors: | Hai, Y, Dugery, R.-J, Healy, D, Christianson, D.W. | | Deposit date: | 2013-09-26 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Formiminoglutamase from trypanosoma cruzi is an arginase-like manganese metalloenzyme.
Biochemistry, 52, 2013
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1KGY
 | | Crystal Structure of the EphB2-ephrinB2 complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 2, EPHRIN-B2 | | Authors: | Himanen, J.P, Rajashankar, K.R, Lackmann, M, Cowan, C.A, Henkemeyer, M, Nikolov, D.B. | | Deposit date: | 2001-11-28 | | Release date: | 2002-05-28 | | Last modified: | 2017-02-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of an Eph receptor-ephrin complex.
Nature, 414, 2001
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4DDH
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1MNG
 | | STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS | | Descriptor: | AZIDE ION, MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE | | Authors: | Lah, M.S, Dixon, M, Pattridge, K.A, Stallings, W.C, Fee, J.A, Ludwig, M.L. | | Deposit date: | 1994-07-13 | | Release date: | 1994-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
Biochemistry, 34, 1995
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4TKP
 | | Complex of Ubc13 with the RING domain of the TRIM5alpha retroviral restriction factor | | Descriptor: | SULFATE ION, Tripartite motif-containing protein 5, Ubiquitin-conjugating enzyme E2 N, ... | | Authors: | Johnson, R, Taylor, A.B, Hart, P.J, Ivanov, D.N. | | Deposit date: | 2014-05-27 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | RING Dimerization Links Higher-Order Assembly of TRIM5 alpha to Synthesis of K63-Linked Polyubiquitin.
Cell Rep, 12, 2015
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3VZV
 | | Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor | | Descriptor: | 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. | | Deposit date: | 2012-10-16 | | Release date: | 2013-02-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold
Bioorg.Med.Chem.Lett., 23, 2013
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3W69
 | | Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor | | Descriptor: | (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. | | Deposit date: | 2013-02-12 | | Release date: | 2013-06-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and evaluation of novel orally active p53-MDM2 interaction inhibitors
Bioorg.Med.Chem., 21, 2013
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4EFK
 | | Pantothenate synthetase in complex with N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE | | Descriptor: | ETHANOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C. | | Deposit date: | 2012-03-29 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4EF6
 | | Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in complex with fragment 1 | | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzodioxol-5-yl)propanoic acid, ETHANOL, ... | | Authors: | Silvestre, H.L, Ciulli, A, Abell, C, Blundell, T. | | Deposit date: | 2012-03-29 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4ED5
 | | Crystal structure of the two N-terminal RRM domains of HuR complexed with RNA | | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-R(*A*UP*UP*UP*UP*UP*AP*UP*UP*UP*U)-3', ... | | Authors: | Wang, H, Zeng, F, Liu, Q, Niu, L, Teng, M, Li, X. | | Deposit date: | 2012-03-27 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the ARE-binding domains of Hu antigen R (HuR) undergoes conformational changes during RNA binding.
Acta Crystallogr.,Sect.D, 69, 2013
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4UY1
 | | Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors | | Descriptor: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H. | | Deposit date: | 2014-08-28 | | Release date: | 2014-10-15 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
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4E4S
 | | Crystal structure of Pika GITRL | | Descriptor: | GLYCEROL, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 18 | | Authors: | Kumar, P.R, Bhosle, R, Bonanno, J, Chowdhury, S, Gizzi, A, Glen, S, Hillerich, B, Hammonds, J, Seidel, R, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2012-03-13 | | Release date: | 2012-03-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of GITRL from Ochotona princeps
to be published
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4RWM
 | | Kuenenia stuttgartiensis hydroxylamine oxidoreductase cryoprotected with ethylene glycol | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol, HEME C, ... | | Authors: | Dietl, A, Maalcke, W, Barends, T.R.M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-08-12 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An unexpected reactivity of the P460 cofactor in hydroxylamine oxidoreductase.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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8BXB
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7A0Z
 | | LppS with covalent adduct derived from 1b | | Descriptor: | L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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6ZEZ
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6ZF8
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF6
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZEY
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6ZF5
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZEX
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZEW
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 7-methoxy-1~{H}-benzotriazole, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF1
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF4
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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