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7VPS
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BU of 7vps by Molmil
Crystal structure of the ARM domain of C. glabrata importin alpha
Descriptor: Importin subunit alpha
Authors:Tan, L, Im, Y.J.
Deposit date:2021-10-17
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis for activation of fungal sterol receptor Upc2 and azole resistance.
Nat.Chem.Biol., 18, 2022
7VPR
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BU of 7vpr by Molmil
Crystal structure of the ligand-binding domain of C. glabrata Upc2 in complex with ergosterol
Descriptor: ERGOSTEROL, Sterol uptake control protein 2 (Upc2)
Authors:Tan, L, Im, Y.J.
Deposit date:2021-10-17
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for activation of fungal sterol receptor Upc2 and azole resistance.
Nat.Chem.Biol., 18, 2022
7V6E
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BU of 7v6e by Molmil
DREP3
Descriptor: DNAation factor-related protein 3, isoform A
Authors:Lee, S.Y, Park, H.H.
Deposit date:2021-08-20
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Helical filament structure of the DREP3 CIDE domain reveals a unified mechanism of CIDE-domain assembly.
Acta Crystallogr D Struct Biol, 77, 2021
3D1I
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BU of 3d1i by Molmil
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with nitrite
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ...
Authors:Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O.
Deposit date:2008-05-06
Release date:2009-05-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens
J.Mol.Biol., 389, 2009
5DKS
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BU of 5dks by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 2-naphthylamino-substituted, ethyl, triaryl-ethylene derivative 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol
Descriptor: 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-03
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DK9
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BU of 5dk9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol
Descriptor: 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-03
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DLR
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BU of 5dlr by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a triaryl-ethylene compound 4,4'-(2-phenylethene-1,1-diyl)diphenol
Descriptor: 4,4'-(2-phenylethene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-07
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4K1P
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BU of 4k1p by Molmil
Structure of the NheA component of the Nhe toxin from Bacillus cereus
Descriptor: 1,2-ETHANEDIOL, NheA, SULFATE ION
Authors:Ganash, M, Phung, D, Artymiuk, P.J.
Deposit date:2013-04-05
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the NheA Component of the Nhe Toxin from Bacillus cereus: Implications for Function.
Plos One, 8, 2013
3COD
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BU of 3cod by Molmil
Crystal Structure of T90A/D115A mutant of Bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Joh, N.H, Min, A, Faham, S, Bowie, J.U.
Deposit date:2008-03-27
Release date:2008-04-08
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Modest stabilization by most hydrogen-bonded side-chain interactions in membrane proteins.
Nature, 453, 2008
7VPT
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BU of 7vpt by Molmil
Structure of the C. glabrata importin alpha ARM domain - Upc2 NLS fusion
Descriptor: C. glabrata importin alpha ARM domain - Upc2 NLS fusion
Authors:Tan, L, Im, Y.J.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for activation of fungal sterol receptor Upc2 and azole resistance.
Nat.Chem.Biol., 18, 2022
3DB4
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BU of 3db4 by Molmil
Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1
Descriptor: E3 ubiquitin-protein ligase UHRF1, SULFATE ION
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-09-16
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
4PI3
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BU of 4pi3 by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)
Descriptor: Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
Authors:Tochowicz, A, McKerrow, J.H.
Deposit date:2014-05-08
Release date:2014-11-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.
Acs Med.Chem.Lett., 7, 2016
3DDQ
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BU of 3ddq by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine
Descriptor: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ...
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
5IIN
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BU of 5iin by Molmil
Crystal structure of the pre-catalytic ternary extension complex of DNA polymerase lambda with an 8-oxo-dG:dC base-pair
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*(8OG)P*TP*AP*CP*TP*G)-3'), ...
Authors:Burak, M.J, Guja, K.E, Garcia-Diaz, M.
Deposit date:2016-03-01
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
Descriptor: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
Authors:Xue, Y, Hansson, S.K.
Deposit date:2008-05-29
Release date:2009-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
7KM5
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BU of 7km5 by Molmil
Crystal structure of SARS-CoV-2 RBD complexed with Nanosota-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Spike protein S1, ...
Authors:Ye, G, Shi, K, Aihara, H, Li, F.
Deposit date:2020-11-02
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The development of Nanosota - 1 as anti-SARS-CoV-2 nanobody drug candidates.
Elife, 10, 2021
3D8W
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BU of 3d8w by Molmil
Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase II, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-05-26
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3D9C
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BU of 3d9c by Molmil
Crystal Structure PTP1B complex with aryl Seleninic acid
Descriptor: (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Abdo, M, Liu, S, Zhou, B, Walls, C.D, Knapp, S, Zhang, Z.-Y.
Deposit date:2008-05-27
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Seleninate in place of phosphate: irreversible inhibition of protein tyrosine phosphatases.
J.Am.Chem.Soc., 130, 2008
4KBY
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BU of 4kby by Molmil
mSTING/c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of interferon genes protein
Authors:Chin, K.H, Su, Y.C, Tu, J.L, Chou, S.H.
Deposit date:2013-04-24
Release date:2013-05-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Novel c-di-GMP recognition modes of the mouse innate immune adaptor protein STING
Acta Crystallogr.,Sect.D, 69, 2013
4KJI
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BU of 4kji by Molmil
Novel re-arrangement of an RsmA/cSRa family protein to create a structurally distinct new RNA-binding family member
Descriptor: RsmN, a RNA-binding protein of Regulator of Secondary Metabolism, RsmZ-2
Authors:Li, C.
Deposit date:2013-05-03
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Rearrangement in an RsmA/CsrA Ortholog of Pseudomonas aeruginosa Creates a Dimeric RNA-Binding Protein, RsmN.
Structure, 21, 2013
3DB3
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BU of 3db3 by Molmil
Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 in complex with trimethylated histone H3-K9 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Trimethylated histone H3-K9 peptide
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-09-16
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
3DJY
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BU of 3djy by Molmil
Nonaged Form of Human Butyrylcholinesterase Inhibited by Tabun
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Carletti, E, Nachon, F.
Deposit date:2008-06-24
Release date:2008-12-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
6DYS
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BU of 6dys by Molmil
C-terminal condensation domain of Ebony in complex with beta-alanyl-dopamine
Descriptor: CALCIUM ION, Ebony, N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2N8A
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BU of 2n8a by Molmil
1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break
Descriptor: DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Yang, J, Wu, W.
Deposit date:2015-10-08
Release date:2015-12-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1.
Mol.Cell, 60, 2015
3EX7
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BU of 3ex7 by Molmil
The crystal structure of EJC in its transition state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Eukaryotic initiation factor 4A-III, ...
Authors:Andersen, G.R, Nielsen, K.H.
Deposit date:2008-10-16
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Mechanism of ATP turnover inhibition in the EJC
Rna, 15, 2009

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