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7JUZ
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BU of 7juz by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Selumetinib
Descriptor: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUV
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BU of 7juv by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C, Scopton, A.P.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
4AXF
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BU of 4axf by Molmil
InsP5 2-K in complex with Ins(3,4,5,6)P4 plus AMPPNP
Descriptor: INOSITOL-PENTAKISPHOSPHATE 2-KINASE, Myo inositol 3,4,5,6 tetrakisphosphate, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:I Banos-Sanz, J, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2012-06-12
Release date:2012-07-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Conformational Changes Undergone by Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase Upon Substrate Binding: The Role of N-Lobe and Enantiomeric Substrate Preference
J.Biol.Chem., 287, 2012
7KLU
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BU of 7klu by Molmil
Tetrameric human mitochondrial Hsp90 (TRAP1) in the presence of AMP-PNP
Descriptor: Heat shock protein 75 kDa, mitochondrial, SpyCatcher, ...
Authors:Liu, Y.X, Agard, D.A.
Deposit date:2020-11-01
Release date:2021-11-03
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM analysis of human mitochondrial Hsp90 in multiple tetrameric states
To Be Published
7KLV
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BU of 7klv by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) SpyCatcher/SpyTag-SdhB heterodimer in the presence of AMP-PNP
Descriptor: Heat shock protein 75 kDa, mitochondrial, SpyCatcher, ...
Authors:Liu, Y.X, Agard, D.A.
Deposit date:2020-11-01
Release date:2021-11-03
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM analysis of human mitochondrial Hsp90 in multiple tetrameric states
To Be Published
7JUS
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BU of 7jus by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
Descriptor: Cobimetinib, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JV0
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BU of 7jv0 by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
6O7I
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BU of 6o7i by Molmil
Cryo-EM structure of Csm-crRNA-target RNA ternary bigger complex in complex with cA4 in type III-A CRISPR-Cas system
Descriptor: CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), Csm2, Csm3, ...
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path.
Mol.Cell, 75, 2019
7JUW
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BU of 7juw by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JV1
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BU of 7jv1 by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C, Scopton, A.P.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUR
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BU of 7jur by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUX
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BU of 7jux by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
5EDG
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BU of 5edg by Molmil
human PDE10A in complex with 3-(2-Chloro-5-phenyl-3H-imidazol-4-yl)-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one at 2.30A
Descriptor: 3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Rudolph, M.G.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5M1S
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BU of 5m1s by Molmil
Cryo-EM structure of the E. coli replicative DNA polymerase-clamp-exonuclase-theta complex bound to DNA in the editing mode
Descriptor: DNA Primer Strand, DNA Template Strand, DNA polymerase III subunit alpha, ...
Authors:Fernandez-Leiro, R, Conrad, J, Scheres, S.H.W, Lamers, M.H.
Deposit date:2016-10-10
Release date:2017-01-18
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Self-correcting mismatches during high-fidelity DNA replication.
Nat. Struct. Mol. Biol., 24, 2017
6O6C
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BU of 6o6c by Molmil
RNA polymerase II elongation complex arrested at a CPD lesion
Descriptor: DNA (27-MER), DNA (5'-D(P*GP*GP*AP*GP*AP*AP*GP*GP*AP*GP*CP*AP*GP*AP*GP*C)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Lahiri, I, Leshziner, A.E.
Deposit date:2019-03-05
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:3.1 angstrom structure of yeast RNA polymerase II elongation complex stalled at a cyclobutane pyrimidine dimer lesion solved using streptavidin affinity grids.
J.Struct.Biol., 207, 2019
3KWV
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BU of 3kwv by Molmil
Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers
Descriptor: CALCIUM ION, Lethal factor, Protective antigen PA-63
Authors:Feld, G.K, Kintzer, A.F, Krantz, B.A.
Deposit date:2009-12-01
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers.
Nat.Struct.Mol.Biol., 17, 2010
4BLV
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BU of 4blv by Molmil
Crystal structure of Escherichia coli 23S rRNA (A2030-N6)- methyltransferase RlmJ in complex with S-adenosylmethionine (AdoMet)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Punekar, A.S, Liljeruhm, J, Shepherd, T.R, Forster, A.C, Selmer, M.
Deposit date:2013-05-04
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Insights Into the Molecular Mechanism of Rrna M6A Methyltransferase Rlmj.
Nucleic Acids Res., 41, 2013
4BLU
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BU of 4blu by Molmil
Crystal structure of Escherichia coli 23S rRNA (A2030-N6)- methyltransferase RlmJ
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Punekar, A.S, Liljeruhm, J, Shepherd, T.R, Forster, A.C, Selmer, M.
Deposit date:2013-05-04
Release date:2013-08-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Insights Into the Molecular Mechanism of Rrna M6A Methyltransferase Rlmj.
Nucleic Acids Res., 41, 2013
3HQW
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BU of 3hqw by Molmil
Discovery of novel inhibitors of PDE10A
Descriptor: 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2009-06-08
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
3HQZ
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BU of 3hqz by Molmil
Discovery of novel inhibitors of PDE10A
Descriptor: 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2009-06-08
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
3HR1
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BU of 3hr1 by Molmil
Discovery of novel inhibitors of PDE10A
Descriptor: 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2009-06-08
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
4AZS
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BU of 4azs by Molmil
High resolution (2.2 A) crystal structure of WbdD.
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, METHYLTRANSFERASE WBDD, ...
Authors:Hagelueken, G, Huang, H, Naismith, J.H.
Deposit date:2012-06-26
Release date:2012-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A.
Mol.Microbiol., 86, 2012
4CO4
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BU of 4co4 by Molmil
Structure of PII signaling protein GlnZ from Azospirillum brasilense in complex with adenosine triphosphate
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
Authors:Truan, D, Li, X.-D, Winkler, F.K.
Deposit date:2014-01-25
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and Thermodynamics of Effector Molecule Binding to the Nitrogen Signal Transduction Pii Protein Glnz from Azospirillum Brasilense.
J.Mol.Biol., 426, 2014
3HQY
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BU of 3hqy by Molmil
Discovery of novel inhibitors of PDE10A
Descriptor: 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline, MAGNESIUM ION, SULFATE ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2009-06-08
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
4D79
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BU of 4d79 by Molmil
Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with ATP at 1.768 Angstroem resolution
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, POTASSIUM ION, ...
Authors:Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2014-11-21
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015

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