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3C15
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BU of 3c15 by Molmil
Complex of GS-Alpha with the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with Pyrophosphate and Mg
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, Adenylate cyclase type 5, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2008-01-22
Release date:2009-02-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
Biochemistry, 48, 2009
3C16
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BU of 3c16 by Molmil
Complex of GS-Alpha with the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with Adenosine-5'-Triphosphate and Ca
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylate cyclase type 2, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2008-01-22
Release date:2009-02-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
Biochemistry, 48, 2009
3C14
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BU of 3c14 by Molmil
Complex of GS-Alpha with the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with Pyrophosphate and Ca
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, Adenylate cyclase type 5, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2008-01-22
Release date:2009-02-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
Biochemistry, 48, 2009
8U7X
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BU of 8u7x by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24
Descriptor: (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Mou, T.C.
Deposit date:2023-09-15
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8U7W
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BU of 8u7w by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7
Descriptor: 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Mou, T.C.
Deposit date:2023-09-15
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.
Acs Med.Chem.Lett., 14, 2023
6D94
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BU of 6d94 by Molmil
Crystal structure of PPAR gamma in complex with Mediator of RNA polymerase II transcription subunit 1
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Mediator of RNA polymerase II transcription subunit 1, Peroxisome proliferator-activated receptor gamma
Authors:Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R.
Deposit date:2018-04-27
Release date:2019-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural mechanism of nuclear receptor biased agonism.
Proc.Natl.Acad.Sci.USA, 119, 2022
5I56
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BU of 5i56 by Molmil
Agonist-bound GluN1/GluN2A agonist binding domains with TCN201
Descriptor: GLUTAMIC ACID, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Mou, T.-C, Sprang, S.R, Hansen, K.B.
Deposit date:2016-02-14
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
5I59
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BU of 5i59 by Molmil
Glutamate- and glycine-bound GluN1/GluN2A agonist binding domains with MPX 007
Descriptor: 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-4H-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide, GLUTAMIC ACID, GLYCINE, ...
Authors:Mou, T.-C, Sprang, S.R, Hansen, K.B.
Deposit date:2016-02-14
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
5I58
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BU of 5i58 by Molmil
GLUTAMATE- AND GLYCINE-BOUND GLUN1/GLUN2A AGONIST BINDING DOMAINS WITH MPX-004
Descriptor: 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide, GLUTAMIC ACID, GLYCINE, ...
Authors:Mou, T.-C, Sprang, S.R, Hansen, K.B.
Deposit date:2016-02-14
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
5I57
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BU of 5i57 by Molmil
Glutamate- and glycine-bound GluN1/GluN2A agonist binding domains
Descriptor: GLUTAMIC ACID, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Mou, T.-C, Sprang, S.R, Hansen, K.B.
Deposit date:2016-02-14
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
5JTY
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BU of 5jty by Molmil
Glutamate- and DCKA-bound GluN1/GluN2A agonist binding domains with MPX-007
Descriptor: 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid, 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide, GLUTAMIC ACID, ...
Authors:Mou, T.-C, Sprang, S.R, Hansen, K.B.
Deposit date:2016-05-10
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
5DEX
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BU of 5dex by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, phenyl-ACEPC
Descriptor: 5-[(2R)-2-amino-2-carboxyethyl]-1-phenyl-1H-pyrazole-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B.
Deposit date:2015-08-26
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits.
Proc. Natl. Acad. Sci. U.S.A., 2017
4MU8
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BU of 4mu8 by Molmil
Crystal structure of an oxidized form of yeast iso-1-cytochrome c at pH 8.8
Descriptor: Cytochrome c iso-1, GLYCEROL, HEME C, ...
Authors:McClelland, L.J, Mou, T.-C, Jeakins-Cooley, M.E, Sprang, S.R, Bowler, B.E.
Deposit date:2013-09-20
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of a mitochondrial cytochrome c conformer competent for peroxidase activity.
Proc.Natl.Acad.Sci.USA, 111, 2014
5KKE
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BU of 5kke by Molmil
Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with CYMAL5
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CHLORIDE ION, Cytochrome c iso-1, ...
Authors:Bowler, B.E, Whitby, F.G.
Deposit date:2016-06-21
Release date:2017-03-22
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
J. Am. Chem. Soc., 138, 2016
5KLU
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BU of 5klu by Molmil
Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with omega-undecylenyl-beta-D-maltopyranoside
Descriptor: Cytochrome c iso-1, HEME C, SULFATE ION, ...
Authors:Bowler, B.E, Whitby, F.G.
Deposit date:2016-06-25
Release date:2017-03-22
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
J. Am. Chem. Soc., 138, 2016
5VIH
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BU of 5vih by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-fluorophenyl-ACEPC
Descriptor: 5-[(2R)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCINE, ...
Authors:Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B.
Deposit date:2017-04-16
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VIJ
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BU of 5vij by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-bromophenyl-ACEPC
Descriptor: 5-[(2R)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1H-pyrazole-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B.
Deposit date:2017-04-16
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VII
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BU of 5vii by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-(3-fluoropropyl)phenyl-ACEPC
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2R)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1H-pyrazole-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B.
Deposit date:2017-04-16
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6UES
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BU of 6ues by Molmil
Apo SAM-IV Riboswitch
Descriptor: RNA (119-MER)
Authors:Zhang, K, Li, S, Kappel, K, Pintilie, G, Su, Z, Mou, T, Schmid, M, Das, R, Chiu, W.
Deposit date:2019-09-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of a 40 kDa SAM-IV riboswitch RNA at 3.7 angstrom resolution.
Nat Commun, 10, 2019
6UET
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BU of 6uet by Molmil
SAM-bound SAM-IV riboswitch
Descriptor: RNA (119-MER), S-ADENOSYLMETHIONINE
Authors:Zhang, K, Li, S, Kappel, K, Pintilie, G, Su, Z, Mou, T, Schmid, M, Das, R, Chiu, W.
Deposit date:2019-09-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structure of a 40 kDa SAM-IV riboswitch RNA at 3.7 angstrom resolution.
Nat Commun, 10, 2019
6VQV
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BU of 6vqv by Molmil
Type I-F CRISPR-Csy complex with its inhibitor AcrF9
Descriptor: AcrF9, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ...
Authors:Zhang, K, Li, S, Pintilie, G, Zhu, Y, Huang, Z, Chiu, W.
Deposit date:2020-02-06
Release date:2020-03-11
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Inhibition mechanisms of AcrF9, AcrF8, and AcrF6 against type I-F CRISPR-Cas complex revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VQX
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BU of 6vqx by Molmil
Type I-F CRISPR-Csy complex with its inhibitor AcrF6
Descriptor: AcrF6, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ...
Authors:Zhang, K, Li, S, Pintilie, G, Zhu, Y, Huang, Z, Chiu, W.
Deposit date:2020-02-06
Release date:2020-03-11
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Inhibition mechanisms of AcrF9, AcrF8, and AcrF6 against type I-F CRISPR-Cas complex revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VQW
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BU of 6vqw by Molmil
Type I-F CRISPR-Csy complex with its inhibitor AcrF8
Descriptor: AcrF8, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ...
Authors:Zhang, K, Li, S, Pintilie, G, Zhu, Y, Huang, Z, Chiu, W.
Deposit date:2020-02-06
Release date:2020-03-11
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Inhibition mechanisms of AcrF9, AcrF8, and AcrF6 against type I-F CRISPR-Cas complex revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NYG
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BU of 6nyg by Molmil
Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2a (OA-2a)
Descriptor: Vacuolating cytotoxin autotransporter
Authors:Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
Deposit date:2019-02-11
Release date:2019-03-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NYF
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BU of 6nyf by Molmil
Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 1 (OA-1)
Descriptor: Vacuolating cytotoxin autotransporter
Authors:Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W.
Deposit date:2019-02-11
Release date:2019-03-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

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