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2GVD
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BU of 2gvd by Molmil
Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With TNP-ATP and Mn
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, Adenylate cyclase type 5, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2006-05-02
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
2GVZ
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BU of 2gvz by Molmil
Crystal Structure of Complex of Gs- with The Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with MANT-ATP and Mn
Descriptor: 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2006-05-03
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
5DEZ
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BU of 5dez by Molmil
Crystal structure of AcMNPV Chitinase A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-ChiA, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2015-08-26
Release date:2016-09-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of AcMNPV Chitinase A
To Be Published
5DF0
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BU of 5df0 by Molmil
Crystal structure of AcMNPV Chitinase A in complex WITH CHITOTRIO-THIAZOLINE DITHIOAMIDE
Descriptor: (2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2015-08-26
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.251 Å)
Cite:Crystal structure of AcMNPV Chitinase A
To Be Published
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
3G82
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BU of 3g82 by Molmil
Complex of GS-alpha with the catalytic domains of mammalian adenylyl cyclase: complex with MANT-ITP and Mn
Descriptor: 3'-O-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate), 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, ...
Authors:Huebner, M, Mou, T.-C, Sprang, S.R, Seifert, R.
Deposit date:2009-02-11
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:2',3'-(O)-(N-Methyl)anthraniloyl-inosine 5'-triphosphate is the Most Potent Adenylyl Cyclase 1 and 5 Inhibitor Known so far and Effectively Promotes Catalytic Subunit Assembly in the Absence of Forskolin
To be Published
3MAA
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BU of 3maa by Molmil
Complex of GS-Alpha with the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with Adenosine 5-O-(l-Thiophosphate) and Low Ca Concentration
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, Adenylate cyclase type 2, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2010-03-23
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
Biochemistry, 48, 2009
9BFB
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BU of 9bfb by Molmil
Crystal structure of BRAF kinase domain with PF-07284890
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{2-chloro-3-[(3,5-dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoropropane-1-sulfonamide, ...
Authors:Mou, T.-C.
Deposit date:2024-04-17
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of the Clinical Candidate PF-07284890 ( ARRY-461 ), a Highly Potent and Brain Penetrant BRAF Inhibitor for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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
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
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
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
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
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
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
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
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
9C1R
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BU of 9c1r by Molmil
Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13
Descriptor: GLYCEROL, Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
Authors:Simpson, H, Wu, W.-I, Mou, T.-C.
Deposit date:2024-05-29
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy.
J.Med.Chem., 67, 2024
9C54
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BU of 9c54 by Molmil
Crystal structure of human PTPN2 catalytic domain
Descriptor: Tyrosine-protein phosphatase non-receptor type 2
Authors:Bester, S.M, Linwood, R, Wu, W.-I, Mou, T.-C.
Deposit date:2024-06-05
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enhancing the apo protein tyrosine phosphatase non-receptor type 2 crystal soaking strategy through inhibitor-accessible binding sites.
Acta Crystallogr.,Sect.F, 80, 2024
9C55
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BU of 9c55 by Molmil
Crystal structure of human PTPN2 in complex with active site inhibitor
Descriptor: 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 2
Authors:Bester, S.M, Linwood, R, Wu, W.-I, Mou, T.-C.
Deposit date:2024-06-05
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Enhancing the apo protein tyrosine phosphatase non-receptor type 2 crystal soaking strategy through inhibitor-accessible binding sites.
Acta Crystallogr.,Sect.F, 80, 2024
9C1A
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BU of 9c1a by Molmil
Crystal structure of GDP-bound human M-RAS protein in crystal form I
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bester, S.M, Abrahamsen, R, Samora, L.R, Wu, W.-I, Mou, T.-C.
Deposit date:2024-05-28
Release date:2024-09-11
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of the GDP-bound human M-RAS protein in two crystal forms.
Acta Crystallogr.,Sect.F, 80, 2024
9C1B
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BU of 9c1b by Molmil
Crystal structure of GDP-bound human M-RAS protein in crystal form II
Descriptor: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bester, S.M, Abrahamsen, R, Samora, L.R, Wu, W.-I, Mou, T.-C.
Deposit date:2024-05-28
Release date:2024-09-11
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of the GDP-bound human M-RAS protein in two crystal forms.
Acta Crystallogr.,Sect.F, 80, 2024
9C56
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BU of 9c56 by Molmil
Crystal structure of human PTPN2 in complex with allosteric inhibitor
Descriptor: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 2
Authors:Bester, S.M, Linwood, R, Wu, W.-I, Mou, T.-C.
Deposit date:2024-06-05
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Enhancing the apo protein tyrosine phosphatase non-receptor type 2 crystal soaking strategy through inhibitor-accessible binding sites.
Acta Crystallogr.,Sect.F, 80, 2024

 

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