3TLI
 
 | | THERMOLYSIN (10% ISOPROPANOL SOAKED CRYSTALS) | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | | Authors: | English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E. | | Deposit date: | 1998-10-28 | | Release date: | 2000-02-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol.
Proteins, 37, 1999
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3JT7
 | | Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2009-09-11 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
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3JZK
 | | crystal structure of MDM2 with chromenotriazolopyrimidine 1 | | Descriptor: | (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Huang, X. | | Deposit date: | 2009-09-23 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction.
J.Med.Chem., 52, 2009
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4HIM
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3JT9
 | | Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2009-09-11 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
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2Z3I
 | | Crystal structure of blasticidin S deaminase (BSD) mutant E56Q complexed with substrate | | Descriptor: | BLASTICIDIN S, Blasticidin-S deaminase, CACODYLATE ION, ... | | Authors: | Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T. | | Deposit date: | 2007-06-04 | | Release date: | 2007-10-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
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2H46
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2Z3H
 | | Crystal structure of blasticidin S deaminase (BSD) complexed with deaminohydroxy blasticidin S | | Descriptor: | 1-(4-{[(3R)-3-AMINO-5-{[(Z)-AMINO(IMINO)METHYL](METHYL)AMINO}PENTANOYL]AMINO}-2,3,4-TRIDEOXY-D-ERYTHRO-HEX-2-ENOPYRANURONOSYL)-4-HYDROXYPYRIMIDIN-2(1H)-ONE, Blasticidin-S deaminase, ZINC ION | | Authors: | Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T. | | Deposit date: | 2007-06-04 | | Release date: | 2007-10-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
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2E82
 | | Crystal structure of human D-amino acid oxidase complexed with imino-DOPA | | Descriptor: | (2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kawazoe, T, Tsuge, H, Imagawa, T, Kuramitsu, S, Fukui, K. | | Deposit date: | 2007-01-16 | | Release date: | 2007-03-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis.
Biochem.Biophys.Res.Commun., 355, 2007
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2HE9
 | | Structure of the peptidylprolyl isomerase domain of the human NK-tumour recognition protein | | Descriptor: | NK-tumor recognition protein, SULFATE ION | | Authors: | Walker, J.R, Davis, T, Newman, E.M, MacKenzie, F, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-21 | | Release date: | 2006-07-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
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2HQ6
 | | Structure of the Cyclophilin_CeCYP16-Like Domain of the Serologically Defined Colon Cancer Antigen 10 from Homo Sapiens | | Descriptor: | GLYCEROL, IODIDE ION, Serologically defined colon cancer antigen 10 | | Authors: | Walker, J.R, Davis, T, Paramanathan, R, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-07-18 | | Release date: | 2006-08-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
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9OFV
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9MS1
 | | Crystal structure of human CYP3A4 in complex with SJYHJ-111 | | Descriptor: | Cytochrome P450 3A4, N'-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2025-01-09 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9O9N
 | | Crystal structure of PPARgamma ligand binding domain (LBD) in complex with NCoR1 corepressor peptide and inverse agonist FX-909 | | Descriptor: | (3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma | | Authors: | Laughlin, Z.T, Dong, J, Harp, J.M, Kojetin, D.J. | | Deposit date: | 2025-04-18 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of PPARgamma-mediated transcriptional repression by the covalent inverse agonist FX-909
To Be Published
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7K86
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9M7L
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8P3Q
 | | Homomeric GluA2 flip R/G-unedited Q/R-edited F231A mutant in tandem with TARP gamma-2, desensitized conformation 3 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glutamate receptor 2, ... | | Authors: | Zhang, D, Krieger, J.M, Yamashita, K, Greger, I. | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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8P3Z
 | | Homomeric GluA2 flip R/G-edited Q/R-edited F231A mutant in tandem with TARP gamma-2, desensitized conformation 2 | | Descriptor: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | | Authors: | Krieger, J.M, Zhang, D, Yamashita, K, Greger, I.H. | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-30 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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8P3Y
 | | Homomeric GluA2 flip R/G-edited Q/R-edited F231A mutant in tandem with TARP gamma-2, desensitized conformation 3 | | Descriptor: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | | Authors: | Krieger, J.M, Zhang, D, Yamashita, K, Greger, I.H. | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Nature, 621, 2023
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9NLG
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9MS2
 | | Crystal structure of human CYP3A5 in complex with SJYHJ-111 | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2025-01-09 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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4TVR
 | | Tandem Tudor and PHD domains of UHRF2 | | Descriptor: | E3 ubiquitin-protein ligase UHRF2, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Walker, J.R, Dong, A, Zhang, Q, Ong, M, Duan, S, Li, Y, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure of the Tandem Tudor and PHD domains of UHRF2
To be published
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4YXI
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | | Descriptor: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Rechlin, C, Heine, A, Klebe, G. | | Deposit date: | 2015-03-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
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9LNW
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9LNV
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