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1HBW
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Solution nmr structure of the dimerization domain of the yeast transcriptional activator Gal4 (residues 50-106)
Descriptor: REGULATORY PROTEIN GAL4
Authors:Hidalgo, P, Ansari, A.Z, Schmidt, P, Hare, B, Simkovic, N, Farrell, S, Shin, E.J, Ptashne, M, Wagner, G.
Deposit date:2001-04-20
Release date:2001-05-10
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Recruitment of the Transcriptional Machinery Through Gal11P: Structure and Interactions of the GAL4 Dimerization Domain
Genes Dev., 15, 2001
1TKX
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BU of 1tkx by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745
Descriptor: 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE, Pol polyprotein, Reverse transcriptase, ...
Authors:Ren, J, Hopkins, A.L, Stuart, D.I, Stammers, D.K.
Deposit date:2004-06-09
Release date:2004-12-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2.
J.Med.Chem., 47, 2004
2OPR
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BU of 2opr by Molmil
Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X.
Descriptor: ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K.
Deposit date:2007-01-30
Release date:2007-05-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases.
J.Med.Chem., 50, 2007
2OPS
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BU of 2ops by Molmil
Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X.
Descriptor: ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K.
Deposit date:2007-01-30
Release date:2007-05-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases.
J.Med.Chem., 50, 2007
8BAO
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BU of 8bao by Molmil
Dysgonamonadaceae bacterium CRISPR ancillary nuclease 2
Descriptor: BROMIDE ION, Cyclic tetra-adenylate (cA4), DUF1887 family protein, ...
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2022-10-11
Release date:2022-11-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Reverse transcriptases prime DNA synthesis.
Nucleic Acids Res., 51, 2023
2OPQ
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BU of 2opq by Molmil
Crystal Structure of L100I Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X.
Descriptor: ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K.
Deposit date:2007-01-30
Release date:2007-05-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases.
J.Med.Chem., 50, 2007
2OPP
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BU of 2opp by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with GW420867X.
Descriptor: ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Chan, S.J.H, Kleim, J, Stammers, D.K.
Deposit date:2007-01-30
Release date:2007-05-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases.
J.Med.Chem., 50, 2007
1VK6
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BU of 1vk6 by Molmil
Crystal structure of NADH pyrophosphatase (1790429) from Escherichia coli k12 at 2.20 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NADH pyrophosphatase, ZINC ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2004-04-30
Release date:2004-05-11
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of NADH pyrophosphatase (1790429) from Escherichia coli k12 at 2.20 A resolution
To be published
2R2U
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BU of 2r2u by Molmil
Co(III)bleomycinB2 bithiazole/C-terminal tail domain bound to d(ATTTAGTTAACTAAAT) complexed with MMLV RT catalytic fragment
Descriptor: DNA (5'-D(*DAP*DTP*DTP*DTP*DAP*DGP*DT)-3'), DNA (5'-D(P*DTP*DAP*DCP*DTP*DAP*DAP*DAP*DT)-3'), N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide, ...
Authors:Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
Deposit date:2007-08-27
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R2R
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BU of 2r2r by Molmil
d(ATTAGTTATAACTAAT) complexed with MMLV RT catalytic fragment
Descriptor: DNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DTP*DA)-3'), DNA (5'-D(P*DTP*DAP*DAP*DCP*DTP*DAP*DAP*DT)-3'), Reverse transcriptase
Authors:Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
Deposit date:2007-08-27
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7ZR0
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BU of 7zr0 by Molmil
CryoEM structure of HSP90-CDC37-BRAF(V600E) complex.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ...
Authors:Oberoi, J, Pearl, L.H.
Deposit date:2022-05-03
Release date:2022-12-14
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation.
Nat Commun, 13, 2022
7ZR5
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BU of 7zr5 by Molmil
CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(closed) complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ...
Authors:Oberoi, J, Pearl, L.H.
Deposit date:2022-05-03
Release date:2022-12-14
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation.
Nat Commun, 13, 2022
7ZR6
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BU of 7zr6 by Molmil
CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(open) complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ...
Authors:Oberoi, J, Pearl, L.H.
Deposit date:2022-05-03
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation.
Nat Commun, 13, 2022
1FMB
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BU of 1fmb by Molmil
EIAV PROTEASE COMPLEXED WITH THE INHIBITOR HBY-793
Descriptor: EIAV PROTEASE, [2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL
Authors:Wlodawer, A, Gustchina, A, Zdanov, A, Kervinen, J.
Deposit date:1996-02-27
Release date:1996-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of equine infectious anemia virus proteinase complexed with an inhibitor.
Protein Sci., 5, 1996
7S76
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BU of 7s76 by Molmil
HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION
Descriptor: (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein
Authors:Olland, A.M, Suto, R.K.
Deposit date:2021-09-15
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.
Rsc Med Chem, 13, 2022
6LUR
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BU of 6lur by Molmil
Human PUF60 UHM domain (thioredoxin fusion) in complex with a small molecule binder
Descriptor: 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one, Thioredoxin 1,Poly(U)-binding-splicing factor PUF60
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2020-01-30
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery.
J.Biomol.Nmr, 74, 2020
8T7T
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BU of 8t7t by Molmil
CryoEM structure of the HisRS-like domain of human GCN2
Descriptor: eIF-2-alpha kinase GCN2
Authors:Yin, J.Z, Keszei, A.F.A, Mazhab-Jafari, M.T, Sicheri, F.
Deposit date:2023-06-21
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:CryoEM structure of the HisRS-like domain of human GCN2
To Be Published
8FFW
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BU of 8ffw by Molmil
Cryo-EM structure of the GR-Hsp90-FKBP51 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ...
Authors:Noddings, C.M, Agard, D.A.
Deposit date:2022-12-10
Release date:2023-11-01
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Cryo-EM reveals how Hsp90 and FKBP immunophilins co-regulate the glucocorticoid receptor.
Nat.Struct.Mol.Biol., 30, 2023
5OKC
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BU of 5okc by Molmil
Crystal structure of the Ctf18-1-8 module from Ctf18-RFC
Descriptor: 1,2-ETHANEDIOL, Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, ...
Authors:Grabarczyk, D.B, Kisker, C.
Deposit date:2017-07-25
Release date:2017-12-20
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Recruitment of Ctf18-RFC to the Replisome.
Structure, 26, 2018
2C3S
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BU of 2c3s by Molmil
Structure Of Sars Cov Main Proteinase At 1.9 A (Ph6.5)
Descriptor: SARS COV 3C-LIKE PROTEINASE
Authors:Xu, T, Ooi, A, Lee, H.-C, Lescar, J.
Deposit date:2005-10-12
Release date:2005-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Sars Coronavirus Main Proteinase as an Active C2 Crystallographic Dimer.
Acta Crystallogr.,Sect.F, 61, 2005
6EY7
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BU of 6ey7 by Molmil
Human cytomegalovirus terminase nuclease domain, Mn soaked, inhibitor bound
Descriptor: 4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Bongarzone, S, Nadal, M, Kaczmarska, Z, Machon, C, Alvarez, M, Albericio, F, Coll, M.
Deposit date:2017-11-10
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Driven Discovery of alpha , gamma-Diketoacid Inhibitors Against UL89 Herpesvirus Terminase.
Acs Omega, 3, 2018
5W9C
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BU of 5w9c by Molmil
Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S in Complex with 4-hydroxytamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor
Authors:Fanning, S.W, Greene, G.W.
Deposit date:2017-06-23
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
5W9D
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BU of 5w9d by Molmil
Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with Endoxifen
Descriptor: Endoxifen, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2017-06-23
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6464 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
6CBZ
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BU of 6cbz by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Estradiol and GRIP Peptide
Descriptor: ESTRADIOL, Estrogen receptor, GLYCEROL, ...
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2018-02-05
Release date:2018-02-28
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
7OXO
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BU of 7oxo by Molmil
human LonP1, R-state, incubated in AMPPCP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
Authors:Abrahams, J.P, Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T.
Deposit date:2021-06-22
Release date:2021-12-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022

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