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3E0U
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BU of 3e0u by Molmil
Crystal structure of T. cruzi GPX1
Descriptor: AMMONIUM ION, GLYCEROL, Glutathione peroxidase
Authors:Patel, S.H, Hussain, S, Harris, R, Driscoll, P, Djordjevic, S.
Deposit date:2008-08-01
Release date:2009-08-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the catalytic mechanism of Trypanosoma cruzi GPXI (glutathione peroxidase-like enzyme I).
Biochem.J., 425, 2010
6NYH
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BU of 6nyh by Molmil
Structure of human RIPK1 kinase domain in complex with GNE684
Descriptor: (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Fong, R, Lupardus, P.J.
Deposit date:2019-02-11
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
5CEO
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BU of 5ceo by Molmil
DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile
Descriptor: 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEN
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BU of 5cen by Molmil
Crystal structure of DLK (kinase domain)
Descriptor: Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEP
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BU of 5cep by Molmil
DLK in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
Descriptor: Mitogen-activated protein kinase kinase kinase 12, N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEQ
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BU of 5ceq by Molmil
DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile
Descriptor: 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5VO2
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BU of 5vo2 by Molmil
DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
Descriptor: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2017-05-01
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
5VO1
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BU of 5vo1 by Molmil
DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)
Descriptor: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2017-05-01
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
6EG1
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BU of 6eg1 by Molmil
Crystal structure of Dpr2 Ig1-Ig2 in complex with DIP-Theta Ig1-Ig3
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cosmanescu, F, Patel, S, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
5TZY
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BU of 5tzy by Molmil
GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ...
Authors:Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
Deposit date:2016-11-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
5TZR
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BU of 5tzr by Molmil
GPR40 in complex with partial agonist MK-8666
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ...
Authors:Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
Deposit date:2016-11-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
1PA1
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BU of 1pa1 by Molmil
Crystal structure of the C215D mutant of protein tyrosine phosphatase 1B
Descriptor: CHLORIDE ION, MAGNESIUM ION, Protein-tyrosine phosphatase, ...
Authors:Romsicki, Y, Scapin, G, Beaulieu-Audy, V, Patel, S.B, Becker, J.W, Kennedy, B, Asante-Appiah, E.
Deposit date:2003-05-13
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional characterization and crystal structure of the C215D mutant of protein-tyrosine phosphatase-1B
J.Biol.Chem., 278, 2003
7LAP
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BU of 7lap by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-Xa
Descriptor: Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, D(-)-TARTARIC ACID, ...
Authors:Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-01-06
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
7LAO
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BU of 7lao by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION
Authors:Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-01-06
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
3D4L
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BU of 3d4l by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a novel inhibitor
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2008-05-14
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.
Bioorg.Med.Chem.Lett., 18, 2008
1QGX
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BU of 1qgx by Molmil
X-RAY STRUCTURE OF YEAST HAL2P
Descriptor: 3',5'-ADENOSINE BISPHOSPHATASE, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ...
Authors:Albert, A, Yenush, L, Gil-Mascarell, M.R, Rodriguez, P.L, Patel, J, Martinez-Ripoll, M, Blundell, T.L, Serrano, R.
Deposit date:1999-05-10
Release date:2000-01-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray structure of yeast Hal2p, a major target of lithium and sodium toxicity, and identification of framework interactions determining cation sensitivity.
J.Mol.Biol., 295, 2000
8EB4
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BU of 8eb4 by Molmil
Gordonia phage Ziko
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-08-30
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8EDU
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BU of 8edu by Molmil
Mycobacteriophage Muddy capsid
Descriptor: Capsid
Authors:Freeman, K.G, White, S.J, Huet, A, Conway, J.F.
Deposit date:2022-09-06
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8EC2
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BU of 8ec2 by Molmil
Mycobacterium phage Adephagia
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-09-01
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8ECK
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BU of 8eck by Molmil
Gordonia phage Cozz
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-09-02
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8ECN
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BU of 8ecn by Molmil
Mycobacterium phage Ogopogo
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-09-02
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8E16
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BU of 8e16 by Molmil
Mycobacterium phage Che8
Descriptor: Major capsid protein, gp6
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-08-09
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8ECJ
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BU of 8ecj by Molmil
Mycobacterium phage Cain
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-09-02
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8EC8
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BU of 8ec8 by Molmil
Mycobacterium phage Bobi
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-09-01
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023
8ECO
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BU of 8eco by Molmil
Microbacterium phage Oxtober96
Descriptor: Major capsid protein
Authors:Podgorski, J.M, White, S.J.
Deposit date:2022-09-02
Release date:2023-02-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:A structural dendrogram of the actinobacteriophage major capsid proteins provides important structural insights into the evolution of capsid stability.
Structure, 31, 2023

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