6L74
 
 | | Thermus thermophilus initial transcription complex comprising sigma A and 5'-triphosphate RNA of 2 nt | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Zhang, Y, Li, L, Ebright, R.H. | | Deposit date: | 2019-10-31 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3T3S
 | | Human Cytochrome P450 2A13 in complex with Pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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6LJG
 | | Crassostrea gigas ferritin mutant-D119G | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Li, H, Zang, J, Tan, X, Wang, Z, Du, M. | | Deposit date: | 2019-12-15 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Crassostrea gigas ferritin mutant-D119G
To Be Published
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6L1B
 | | Crystal Structure of P450BM3 with N-(3-cyclopentylpropanoyl)-L-pipecolyl-L-phenylalanine | | Descriptor: | (2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Shoji, O, Yonemura, K. | | Deposit date: | 2019-09-28 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
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3RVF
 | | FXR with SRC1 and GSK2034 | | Descriptor: | 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | Authors: | Williams, S.P, Madauss, K.P. | | Deposit date: | 2011-05-06 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
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3RY4
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6LBD
 | | shrimp ferritin T158R G159R | | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin | | Authors: | Zhao, G, Chen, H. | | Deposit date: | 2019-11-14 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.386 Å) | | Cite: | Construction of thermally robust and porous shrimp ferritin crystalline for molecular encapsulation through intermolecular arginine-arginine attractions.
Food Chem, 349, 2021
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6J5T
 | | Reconstitution and structure of a plant NLR resistosome conferring immunity | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
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3S79
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6J32
 | | Crystal Structure Analysis of the Glycotransferase of kitacinnamycin | | Descriptor: | Kcn28 | | Authors: | Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M. | | Deposit date: | 2019-01-03 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Genome mining and biosynthesis of kitacinnamycins as a STING activator.
Chem Sci, 10, 2019
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3S9Y
 | | Crystal Structure of P. falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP in space group P21, produced from 5-fluoro-6-azido-UMP | | Descriptor: | 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ... | | Authors: | Liu, Y, Kotra, L.P, Pai, E.F. | | Deposit date: | 2011-06-02 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents.
J.Med.Chem., 52, 2009
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3SA7
 | | Crystal structure of wild-type HIV-1 protease in complex with AF55 | | Descriptor: | N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide, PHOSPHATE ION, Protease | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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3SDK
 | | Structure of yeast 20S open-gate proteasome with Compound 34 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide, ... | | Authors: | Sintchak, M.D. | | Deposit date: | 2011-06-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
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3SDW
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6J79
 | | Fusion protein of heme oxygenase-1 and NADPH-cytochrome P450 reductase (13aa) | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ... | | Authors: | Sugishima, M, Wada, K. | | Deposit date: | 2019-01-17 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.331 Å) | | Cite: | Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding.
Febs Lett., 593, 2019
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3SNH
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6L35
 | | PSI-LHCI Supercomplex from Physcometrella patens | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhao, L, Yan, Q.J, Qin, X.C. | | Deposit date: | 2019-10-09 | | Release date: | 2021-02-10 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens.
Cell Discov, 7, 2021
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3S91
 | | Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1 | | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain-containing protein 3, ISOPROPYL ALCOHOL | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-05-31 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
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3SA8
 | | Crystal structure of wild-type HIV-1 protease in complex with KB83 | | Descriptor: | 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide, ACETATE ION, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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3R41
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-17 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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6LKN
 | | Crystal structure of ATP11C-CDC50A in PtdSer-bound E2P state | | Descriptor: | 1-deoxy-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | Authors: | Abe, K, Irie, K, Nakanishi, H, Hasegawa, K. | | Deposit date: | 2019-12-19 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of a human plasma membrane phospholipid flippase.
J.Biol.Chem., 295, 2020
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6JBQ
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6JQA
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6JMW
 | | Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ... | | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-03-13 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6JNX
 | | Cryo-EM structure of a Q-engaged arrested complex | | Descriptor: | Antiterminator Q protein, DNA (63-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Feng, Y, Shi, J. | | Deposit date: | 2019-03-18 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.08 Å) | | Cite: | Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
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