1BWK
| OLD YELLOW ENZYME (OYE1) MUTANT H191N | Descriptor: | FLAVIN MONONUCLEOTIDE, PROTEIN (NADPH DEHYDROGENASE 1) | Authors: | Brown, B.J, Deng, Z, Karplus, P.A, Massey, V. | Deposit date: | 1998-09-24 | Release date: | 1998-09-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On the active site of Old Yellow Enzyme. Role of histidine 191 and asparagine 194. J.Biol.Chem., 273, 1998
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6WR1
| Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6WR0
| Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | Descriptor: | (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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1QAM
| THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM | Descriptor: | ACETATE ION, ERMC' METHYLTRANSFERASE | Authors: | Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C. | Deposit date: | 1999-03-25 | Release date: | 2000-03-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism. J.Mol.Biol., 289, 1999
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1QAQ
| THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM | Descriptor: | ERMC' RRNA METHYLTRANSFERASE, SINEFUNGIN | Authors: | Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C. | Deposit date: | 1999-03-28 | Release date: | 2000-03-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism. J.Mol.Biol., 289, 1999
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4XID
| AntpHD with 15bp DNA duplex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2015-01-06 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate. Biophys.J., 109, 2015
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2P8L
| Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | Authors: | Julien, J.P, Bryson, S, Pai, E.F. | Deposit date: | 2007-03-22 | Release date: | 2007-05-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site. J.Mol.Biol., 384, 2008
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5WPV
| Cryo-EM structure of mammalian endolysosomal TRPML1 channel in nanodiscs at 3.59 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION | Authors: | Chen, Q, She, J, Guo, J, Bai, X, Jiang, Y. | Deposit date: | 2017-08-07 | Release date: | 2017-10-18 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Structure of mammalian endolysosomal TRPML1 channel in nanodiscs. Nature, 550, 2017
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6WW0
| Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | Descriptor: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-05-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6HV0
| IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33 | Descriptor: | 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Bayliss, R, Bhatia, C, Collins, I. | Deposit date: | 2018-10-09 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62, 2019
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6D7N
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3WFG
| Mineralocorticoid receptor ligand-binding domain with compuond 2e | Descriptor: | 1,2-ETHANEDIOL, 6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | Authors: | Sogabe, S, Habuka, N. | Deposit date: | 2013-07-19 | Release date: | 2013-08-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists. Bioorg.Med.Chem., 21, 2013
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4HWE
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8FDX
| AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Nyman, M.C, Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-05 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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7ACN
| CRYSTAL STRUCTURES OF ACONITASE WITH ISOCITRATE AND NITROISOCITRATE BOUND | Descriptor: | ACONITASE, IRON/SULFUR CLUSTER, ISOCITRIC ACID | Authors: | Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D. | Deposit date: | 1991-05-15 | Release date: | 1993-10-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of aconitase with isocitrate and nitroisocitrate bound. Biochemistry, 31, 1992
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7TXS
| X-ray structure of the VioB N-aetyltransferase from Acinetobacter baumannii in the presence of a reaction intermediate | Descriptor: | SODIUM ION, VioB, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-4-({3-[(2-{[(1S)-1-{[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(R)-hydroxy{[(R)-hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) | Authors: | Herkert, N.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2022-02-09 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212. Proteins, 90, 2022
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1BWL
| OLD YELLOW ENZYME (OYE1) DOUBLE MUTANT H191N:N194H | Descriptor: | FLAVIN MONONUCLEOTIDE, PROTEIN (NADPH DEHYDROGENASE 1) | Authors: | Brown, B.J, Deng, Z, Karplus, P.A, Massey, V. | Deposit date: | 1998-09-24 | Release date: | 1998-09-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | On the active site of Old Yellow Enzyme. Role of histidine 191 and asparagine 194. J.Biol.Chem., 273, 1998
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6D7M
| Crystal structure of the W184R/W231R Importin alpha mutant | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peroxidase,Importin subunit alpha-1, ... | Authors: | Pedersen, L.C, London, R.E, Gabel, S.A. | Deposit date: | 2018-04-25 | Release date: | 2019-03-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | Variations in nuclear localization strategies among pol X family enzymes. Traffic, 2018
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6D88
| Tubulin-RB3_SLD-TTL in complex with compound 13f | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2018-04-26 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.853 Å) | Cite: | Structural Modification of the 3,4,5-Trimethoxyphenyl Moiety in the Tubulin Inhibitor VERU-111 Leads to Improved Antiproliferative Activities. J. Med. Chem., 61, 2018
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6X81
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6OG0
| Structure of Aedes aegypti OBP22 | Descriptor: | AAEL005772-PA, CADMIUM ION, CHLORIDE ION | Authors: | Jones, D.N, Wang, J. | Deposit date: | 2019-04-01 | Release date: | 2019-04-17 | Last modified: | 2020-05-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail. Sci Rep, 10, 2020
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4QTZ
| Crystal Structure of Cinnamyl-Alcohol Dehydrogenase 2 | Descriptor: | Dihydroflavonol-4-reductase | Authors: | Pan, H, Wang, X. | Deposit date: | 2014-07-10 | Release date: | 2014-10-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis. Plant Cell, 26, 2014
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1BQS
| THE CRYSTAL STRUCTURE OF MUCOSAL ADDRESSIN CELL ADHESION MOLECULE-1 (MADCAM-1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (MUCOSAL ADDRESSIN CELL ADHESION MOLECULE-1) | Authors: | Tan, K, Casasnovas, J.M, Liu, J.H, Briskin, M.J, Springer, T.A, Wang, J.-H. | Deposit date: | 1998-08-18 | Release date: | 1999-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of immunoglobulin superfamily domains 1 and 2 of MAdCAM-1 reveals novel features important for integrin recognition. Structure, 6, 1998
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4WMA
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7TT8
| Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | Authors: | Cato, M.L, Ortlund, E.A. | Deposit date: | 2022-01-31 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket. J.Med.Chem., 65, 2022
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