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7PRW
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BU of 7prw by Molmil
The glucocorticoid receptor in complex with velsecorat, a PGC1a coactivator fragment and sgk 23bp
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*CP*GP*GP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*TP*GP*TP*AP*C)-3'), ...
Authors:Postel, S, Edman, K, Wissler, L.
Deposit date:2021-09-22
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023
7PRX
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BU of 7prx by Molmil
wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment
Descriptor: Glucocorticoid receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Velsecorat
Authors:Edman, K, Wissler, L, Koehler, C, Postel, S.
Deposit date:2021-09-22
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023
6PGO
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BU of 6pgo by Molmil
Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor
Descriptor: 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-24
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6PGP
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BU of 6pgp by Molmil
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
Descriptor: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C, Whittington, D.A.
Deposit date:2019-06-24
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
4RIQ
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BU of 4riq by Molmil
Crystal structure of DPY-30 dimerization/docking domain in complex with Ash2L Sdc1-DPY-30 Interacting region (SDI)
Descriptor: Protein dpy-30 homolog, SULFATE ION, Set1/Ash2 histone methyltransferase complex subunit ASH2
Authors:Tremblay, V, Couture, J.-F.
Deposit date:2014-10-07
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:Molecular Basis for DPY-30 Association to COMPASS-like and NURF Complexes.
Structure, 22, 2014
7PG9
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BU of 7pg9 by Molmil
human 20S proteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-08-13
Release date:2021-10-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag.
Nat Commun, 12, 2021
6XZU
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BU of 6xzu by Molmil
Complex of C-terminal domain of murine complement C3b with the hC3Nb3 nanobody
Descriptor: Complement C3, nanobody hC3Nb1
Authors:Andersen, G.R, Pedersen, H.
Deposit date:2020-02-05
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Complement C3-Specific Nanobody for Modulation of the Alternative Cascade Identifies the C-Terminal Domain of C3b as Functional in C5 Convertase Activity.
J Immunol., 205, 2020
6ZTS
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BU of 6zts by Molmil
Assembly intermediates of orthoreovirus captured in the cell
Descriptor: Lambda-1
Authors:Sutton, G.C, Stuart, D.I.
Deposit date:2020-07-20
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY
Cite:Assembly intermediates of orthoreovirus captured in the cell.
Nat Commun, 11, 2020
6ZTZ
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BU of 6ztz by Molmil
Assembly intermediates of orthoreovirus captured in the cell
Descriptor: Inner capsid protein lambda-1, Inner capsid protein sigma-2, Outer capsid protein lambda-2, ...
Authors:Sutton, G.C, Stuart, D.I.
Deposit date:2020-07-20
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY
Cite:Assembly intermediates of orthoreovirus captured in the cell.
Nat Commun, 11, 2020
6YNU
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BU of 6ynu by Molmil
CaM-P458 complex (crystal form 1)
Descriptor: Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A.
Deposit date:2020-04-14
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
6YNS
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BU of 6yns by Molmil
CaM-P458 complex (crystal form 2)
Descriptor: Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1
Authors:Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A.
Deposit date:2020-04-14
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
1LQM
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BU of 1lqm by Molmil
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN
Descriptor: URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR
Authors:Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M.
Deposit date:2002-05-10
Release date:2002-11-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
6ZTY
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BU of 6zty by Molmil
Assembly intermediates of orthoreovirus captured in the cell
Descriptor: Outer capsid protein mu-1, Outer capsid protein sigma-3
Authors:Sutton, G.C, Stuart, D.I.
Deposit date:2020-07-20
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY
Cite:Assembly intermediates of orthoreovirus captured in the cell.
Nat Commun, 11, 2020
1FGT
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BU of 1fgt by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q697N MUTANT
Descriptor: FE (III) ION, SEED LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.
Deposit date:2000-07-28
Release date:2001-07-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
1F8N
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BU of 1f8n by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, NEW REFINEMENT
Descriptor: FE (II) ION, LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.
Deposit date:2000-06-30
Release date:2001-07-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
1FGM
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BU of 1fgm by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, N694H MUTANT
Descriptor: FE (III) ION, SEED LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.R.
Deposit date:2000-07-28
Release date:2001-10-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
1FGQ
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BU of 1fgq by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q495E MUTANT
Descriptor: FE (III) ION, SEED LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.
Deposit date:2000-07-28
Release date:2001-07-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
1FGR
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BU of 1fgr by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q697E MUTANT
Descriptor: FE (III) ION, SEED LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.
Deposit date:2000-07-28
Release date:2001-07-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
1FGO
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BU of 1fgo by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 100K, Q495A MUTANT
Descriptor: FE (III) ION, SEED LIPOXYGENASE-1
Authors:Tomchick, D.R, Minor, W, Holman, T.
Deposit date:2000-07-28
Release date:2001-07-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1.
Biochemistry, 40, 2001
1GNE
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BU of 1gne by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Lim, K, Ho, J.X, Keeling, K, Gilliland, G.L, Ji, X, Ruker, F, Carter, D.C.
Deposit date:1994-06-16
Release date:1994-11-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV.
Protein Sci., 3, 1994
6KCF
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BU of 6kcf by Molmil
Structure of Inosine 5'-monophosphate Dehydrogenase from Candidatus Liberibacter asiaticus str. psy62
Descriptor: Inosine-5'-monophosphate dehydrogenase
Authors:Nan, J, Zhang, S.R, Jiang, L.
Deposit date:2019-06-28
Release date:2019-08-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Evaluation of Bronopol and Disulfiram as Potential Candidatus Liberibacter asiaticus Inosine 5'-Monophosphate Dehydrogenase Inhibitors by Using Molecular Docking and Enzyme Kinetic.
Molecules, 25, 2020
7KWU
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BU of 7kwu by Molmil
Crystal Structure of HIV-1 RT in Complex with 16c (K07-15)
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ...
Authors:Ruiz, F.X, Arnold, E.
Deposit date:2020-12-02
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
5MR4
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BU of 5mr4 by Molmil
Ligand-receptor complex.
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, GDNF family receptor alpha-2, ...
Authors:Sandmark, J, Oster, L, Aagaard, A, Roth, R.G, Dahl, G.
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
5MR9
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BU of 5mr9 by Molmil
Ligand-receptor complex.
Descriptor: Neurturin
Authors:Sandmark, J, Oster, L, Aagaard, A, Roth, R.G, Dahl, G.
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and biophysical characterisation of the human complex - a role for heparan sulfate
To Be Published
4R41
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BU of 4r41 by Molmil
Complex Crystal structure of 4-nitro-2-phosphono-benzoic acid with sp-Aspartate-Semialdehyde Dehydrogenase and Nicotinamide-dinucleotide
Descriptor: 1,2-ETHANEDIOL, 4-nitro-2-phosphonobenzoic acid, ACETATE ION, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-08-18
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014

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