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4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
Descriptor: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
Descriptor: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
Descriptor: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4IJS
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BU of 4ijs by Molmil
Crystal structure of nucleocapsid protein encoded by the prototypic member of orthobunyavirus
Descriptor: Nucleoprotein, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3')
Authors:Li, B.B, Wang, Q, Lou, Z.Y.
Deposit date:2012-12-23
Release date:2013-04-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Bunyamwera virus possesses a distinct nucleocapsid protein to facilitate genome encapsidation
Proc.Natl.Acad.Sci.USA, 110, 2013
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
Descriptor: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
Authors:Konuma, T, Zhou, M.-M.
Deposit date:2023-01-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 2023
7X84
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BU of 7x84 by Molmil
Cryo-EM structure of the TMEM106B fibril from Parkinson's disease dementia
Descriptor: Transmembrane protein 106B
Authors:Zhao, Q.Y, Xia, W.C, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
Deposit date:2022-03-11
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
7X83
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BU of 7x83 by Molmil
Cryo-EM structure of the TMEM106B fibril from normal elder
Descriptor: Transmembrane protein 106B
Authors:Xia, W.C, Zhao, Q.Y, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
Deposit date:2022-03-11
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
1IYJ
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BU of 1iyj by Molmil
STRUCTURE OF A BRCA2-DSS1 COMPLEX
Descriptor: Deleted in split hand/split foot protein 1, breast cancer susceptibility
Authors:Pavletich, N.P, Jeffrey, P.D, Yang, H.J.
Deposit date:2002-08-28
Release date:2002-10-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure.
Science, 297, 2002
1M5C
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BU of 1m5c by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH Br-HIBO AT 1.65 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
3WLW
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BU of 3wlw by Molmil
Molecular Architecture of the ErbB2 Extracellular Domain Homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody H Chain, ...
Authors:Hu, S, Lou, Z.Y, Guo, Y.J.
Deposit date:2013-11-15
Release date:2015-05-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.088 Å)
Cite:Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
1MQD
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BU of 1mqd by Molmil
X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.46 A resolution. Crystallization in the presence of lithium sulfate.
Descriptor: (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, GLYCEROL, Glutamate receptor subunit 2, ...
Authors:Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S.
Deposit date:2002-09-16
Release date:2003-07-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:GluR2 ligand-binding core complexes: Importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists.
FEBS Lett., 531, 2002
1M5D
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BU of 1m5d by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH Br-HIBO AT 1.73 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2, SULFATE ION
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
1M5F
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BU of 1m5f by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
1M5E
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BU of 1m5e by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH ACPA AT 1.46 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
7XEY
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BU of 7xey by Molmil
EDS1-PAD4 complexed with pRib-ADP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-beta-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Huang, S, Jia, A, Xiao, Y.
Deposit date:2022-03-31
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Science, 377, 2022
7DAC
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BU of 7dac by Molmil
Human RIPK3 amyloid fibril revealed by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 3
Authors:Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X.
Deposit date:2020-10-16
Release date:2021-04-28
Method:SOLID-STATE NMR
Cite:The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CYP
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BU of 7cyp by Molmil
Complex of SARS-CoV-2 spike trimer with its neutralizing antibody HB27
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of HB27, ...
Authors:Wang, X, Zhu, L.
Deposit date:2020-09-04
Release date:2021-06-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Double lock of a potent human therapeutic monoclonal antibody against SARS-CoV-2.
Natl Sci Rev, 8, 2021
1M5B
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BU of 1m5b by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH 2-Me-Tet-AMPA AT 1.85 A RESOLUTION.
Descriptor: (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID, Glutamate receptor 2, ZINC ION
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
6UL5
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BU of 6ul5 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ...
Authors:Ruiz, F.X, Pilch, A, Arnold, E.
Deposit date:2019-10-06
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
6VUM
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BU of 6vum by Molmil
Structure of nevanimibe-bound human tetrameric ACAT1
Descriptor: CHOLESTEROL, COENZYME A, OLEIC ACID, ...
Authors:Li, X, Long, T.
Deposit date:2020-02-16
Release date:2020-05-13
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structure of nevanimibe-bound tetrameric human ACAT1.
Nature, 581, 2020
6XBW
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BU of 6xbw by Molmil
Cryo-EM structure of V-ATPase from bovine brain, state 1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, R, Li, X.
Deposit date:2020-06-07
Release date:2020-08-19
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Cryo-EM structures of intact V-ATPase from bovine brain.
Nat Commun, 11, 2020
6XBY
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BU of 6xby by Molmil
Cryo-EM structure of V-ATPase from bovine brain, state 2
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, R, Li, X.
Deposit date:2020-06-07
Release date:2020-08-19
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Cryo-EM structures of intact V-ATPase from bovine brain.
Nat Commun, 11, 2020
7DWV
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BU of 7dwv by Molmil
Cryo-EM structure of amyloid fibril formed by familial prion disease-related mutation E196K
Descriptor: Major prion protein
Authors:Wang, L.Q, Zhao, K, Yuan, H.Y, Li, X.N, Dang, H.B, Ma, Y.Y, Wang, Q, Wang, C, Sun, Y.P, Chen, J, Li, D, Zhang, D.L, Yin, P, Liu, C, Liang, Y.
Deposit date:2021-01-18
Release date:2021-10-13
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Genetic prion disease-related mutation E196K displays a novel amyloid fibril structure revealed by cryo-EM.
Sci Adv, 7, 2021
5H7Z
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BU of 5h7z by Molmil
Apo structure of immunity protein TplEi of T6SS from Pseudomonas aeruginosa
Descriptor: SULFATE ION, Uncharacterized protein
Authors:Gao, X.P, Mu, Z.X, Cui, S.
Deposit date:2016-11-21
Release date:2017-10-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.057 Å)
Cite:Structure-Based Prototype Peptides Targeting the Pseudomonas aeruginosa Type VI Secretion System Effector as a Novel Antibacterial Strategy
Front Cell Infect Microbiol, 7, 2017

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