2OVM
 
 | | Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor NCoR | | Descriptor: | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, NCoR, Progesterone receptor | | Authors: | Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P. | | Deposit date: | 2007-02-14 | | Release date: | 2007-03-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
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2OVH
 | | Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT | | Descriptor: | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, Progesterone receptor, SMRT peptide | | Authors: | Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P. | | Deposit date: | 2007-02-13 | | Release date: | 2007-03-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
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7VT0
 | | Dimer structure of SORLA | | Descriptor: | Sortilin-related receptor | | Authors: | Xi, Z, Cang, W, Chuang, L. | | Deposit date: | 2021-10-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-05-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures reveal distinct apo conformations of sortilin-related receptor SORLA.
Biochem.Biophys.Res.Commun., 600, 2022
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7YAE
 | | Octreotide-bound SSTR2-Gi complex | | Descriptor: | CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, J, Shao, Z. | | Deposit date: | 2022-06-28 | | Release date: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
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7YAC
 | | Paltusotine-bound SSTR2-Gi complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhao, J, Shao, Z. | | Deposit date: | 2022-06-27 | | Release date: | 2023-04-19 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
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2ISW
 | | Structure of Giardia fructose-1,6-biphosphate aldolase in complex with phosphoglycolohydroxamate | | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | | Authors: | Galkin, A, Herzberg, O. | | Deposit date: | 2006-10-18 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization, kinetics, and crystal structures of fructose-1,6-bisphosphate aldolase from the human parasite, Giardia lamblia.
J.Biol.Chem., 282, 2007
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2ISV
 | | Structure of Giardia fructose-1,6-biphosphate aldolase in complex with phosphoglycolohydroxamate | | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | | Authors: | Galkin, A, Herzberg, O. | | Deposit date: | 2006-10-18 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization, kinetics, and crystal structures of fructose-1,6-bisphosphate aldolase from the human parasite, Giardia lamblia.
J.Biol.Chem., 282, 2007
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2K9U
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4NSE
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, L-ARG COMPLEX | | Descriptor: | ACETATE ION, ARGININE, CACODYLATE ION, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1998-10-07 | | Release date: | 1999-05-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
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7BR3
 | | Crystal structure of the protein 1 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ... | | Authors: | Cheng, L, Shao, Z. | | Deposit date: | 2020-03-26 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
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7C9N
 | | Crystal structure of SETDB1 tudor domain in complexed with Compound 1. | | Descriptor: | 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | | Authors: | Guo, Y, Xiong, L, Mao, X, Yang, S. | | Deposit date: | 2020-06-06 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.472 Å) | | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7CAJ
 | | Crystal structure of SETDB1 Tudor domain in complexed with Compound 2. | | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | | Authors: | Guo, Y.P, Liang, X, Xin, M, Luyi, H, Chengyong, W, Yang, S.Y. | | Deposit date: | 2020-06-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7E3O
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7EI1
 | | Structure of Pyrococcus furiosus Cas1Cas2 complex | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2021-03-30 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | A distinct structure of Cas1-Cas2 complex provides insights into the mechanism for the longer spacer acquisition in Pyrococcus furiosus.
Int.J.Biol.Macromol., 183, 2021
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7E0B
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5V8C
 | | LytR-Csp2A-Psr enzyme from Actinomyces oris | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Amer, B.R, Sawaya, M.R, Liauw, B, Fu, J.Y, Ton-That, H, Clubb, R.T. | | Deposit date: | 2017-03-21 | | Release date: | 2018-04-11 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure and Mechanism of LcpA, a Phosphotransferase That Mediates Glycosylation of a Gram-Positive Bacterial Cell Wall-Anchored Protein.
MBio, 10, 2019
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5VAO
 | | Crystal structure of eVP30 C-terminus and eNP peptide | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | XU, W, Leung, D.W, Amarasinghe, G.K. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis.
Nat Commun, 8, 2017
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5XHS
 | | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | | Descriptor: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | | Authors: | Yu, Y, Li, B, Chen, Q. | | Deposit date: | 2017-04-24 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
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4LC7
 | | Aminooxazoline inhibitor of BACE-1 | | Descriptor: | (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, Beta-Secretase-1, NICKEL (II) ION | | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wu, C, Wang, W, Smith, D, Vigers, G.P.A, Dutcher, D, Hunt, K.W, Siu, M. | | Deposit date: | 2013-06-21 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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1D1X
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,4-PBITU (H4B BOUND) | | Descriptor: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-09-21 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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1D1V
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH S-ETHYL-N-PHENYL-ISOTHIOUREA (H4B BOUND) | | Descriptor: | 2-ETHYL-1-PHENYL-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-09-21 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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1D1Y
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,3-PBITU (H4B FREE) | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, ACETATE ION, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-09-21 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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1DM6
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N-(4-CHLOROPHENYL)-N'-HYDROXYGUANIDINE (H4B FREE) | | Descriptor: | ACETATE ION, CACODYLATE ION, N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-12-13 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
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1DF1
 | | MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Rosenfeld, R.J, Arvai, A.S, Ghosh, D.K, Ghosh, S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D. | | Deposit date: | 1999-11-16 | | Release date: | 1999-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | N-terminal domain swapping and metal ion binding in nitric oxide synthase dimerization.
EMBO J., 18, 1999
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1DM7
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH HOMOARGININE (H4B FREE) | | Descriptor: | ACETATE ION, CACODYLATE ION, GLYCEROL, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-12-13 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed With Various Inhibitors
To be Published
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