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4M8T
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BU of 4m8t by Molmil
RSK2 T493M C-Terminal Kinase Domain in complex with 3-(3-(1H-pyrazol-4-yl)phenyl)-2-cyanoacrylamide
Descriptor: (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Miller, R.M, Taunton, J.
Deposit date:2013-08-13
Release date:2014-10-22
Last modified:2014-11-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LDI
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BU of 4ldi by Molmil
Low resolution structure of Ebola virus M241R mutant
Descriptor: Matrix protein VP40
Authors:Bornholdt, Z.A, Ableson, D.M, Saphire, E.O.
Deposit date:2013-06-24
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structural Rearrangement of Ebola Virus VP40 Begets Multiple Functions in the Virus Life Cycle.
Cell(Cambridge,Mass.), 154, 2013
1ZAG
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BU of 1zag by Molmil
HUMAN ZINC-ALPHA-2-GLYCOPROTEIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chirino, A.J, Sanchez, L.M, Bjorkman, P.J.
Deposit date:1999-02-02
Release date:1999-03-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human ZAG, a fat-depleting factor related to MHC molecules.
Science, 283, 1999
5A8H
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BU of 5a8h by Molmil
cryo-ET subtomogram averaging of BG505 SOSIP.664 in complex with sCD4, 17b, and 8ANC195
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB OF BROADLY NEUTRALIZING ANTIBODY 17B, FAB OF BROADLY NEUTRALIZING ANTIBODY 8ANC195 VARIANT G52K5, ...
Authors:Scharf, L, Wang, H, Gao, H, Chen, S, McDowall, A, Bjorkman, P.
Deposit date:2015-07-15
Release date:2015-08-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (23 Å)
Cite:Broadly Neutralizing Antibody 8ANC195 Recognizes Closed and Open States of HIV-1 Env.
Cell, 162, 2015
5A7X
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BU of 5a7x by Molmil
negative stain EM of BG505 SOSIP.664 in complex with sCD4, 17b, and 8ANC195
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB OF BROADLY NEUTRALIZING ANTIBODY 17B, FAB OF BROADLY NEUTRALIZING ANTIBODY 8ANC195, ...
Authors:Scharf, L, Wang, H, Gao, H, Chen, S, McDowall, A, Bjorkman, P.
Deposit date:2015-07-10
Release date:2015-08-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (17 Å)
Cite:Broadly Neutralizing Antibody 8Anc195 Recognizes Closed and Open States of HIV-1 Env.
Cell(Cambridge,Mass.), 162, 2015
5AMN
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BU of 5amn by Molmil
The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J.
Deposit date:2015-03-11
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity.
Eur J Med Chem, 112, 2016
2KTX
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BU of 2ktx by Molmil
COMPLETE KALIOTOXIN FROM ANDROCTONUS MAURETANICUS MAURETANICUS, NMR, 18 STRUCTURES
Descriptor: KALIOTOXIN
Authors:Gairi, M, Romi, R, Fernandez, I, Rochat, H, Martin-Eauclaire, M.-F, Van Rietschtoten, J, Pons, M, Giralt, E.
Deposit date:1997-02-27
Release date:1997-06-16
Last modified:2017-12-20
Method:SOLUTION NMR
Cite:3D structure of kaliotoxin: is residue 34 a key for channel selectivity?
J.Pept.Sci., 3, 1997
2K9I
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BU of 2k9i by Molmil
NMR structure of plasmid copy control protein ORF56 from sulfolobus islandicus
Descriptor: Uncharacterized protein ORF56
Authors:Weininger, U, Balbach, J.
Deposit date:2008-10-15
Release date:2009-10-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure-Based Stability Analysis of an Extremely Stable Dimeric DNA Binding Protein from Sulfolobus islandicus
Biochemistry, 48, 2009
1HVD
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BU of 1hvd by Molmil
STRUCTURAL AND ELECTROPHYSIOLOGICAL ANALYSIS OF ANNEXIN V MUTANTS. MUTAGENESIS OF HUMAN ANNEXIN V, AN IN VITRO VOLTAGE-GATED CALCIUM CHANNEL, PROVIDES INFORMATION ABOUT THE STRUCTURAL FEATURES OF THE ION PATHWAY, THE VOLTAGE SENSOR AND THE ION SELECTIVITY FILTER
Descriptor: ANNEXIN V, CALCIUM ION
Authors:Burger, A, Huber, R.
Deposit date:1994-06-29
Release date:1995-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and electrophysiological analysis of annexin V mutants. Mutagenesis of human annexin V, an in vitro voltage-gated calcium channel, provides information about the structural features of the ion pathway, the voltage sensor and the ion selectivity filter
J.Mol.Biol., 237, 1994
1HVF
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BU of 1hvf by Molmil
STRUCTURAL AND ELECTROPHYSIOLOGICAL ANALYSIS OF ANNEXIN V MUTANTS. MUTAGENESIS OF HUMAN ANNEXIN V, AN IN VITRO VOLTAGE-GATED CALCIUM CHANNEL, PROVIDES INFORMATION ABOUT THE STRUCTURAL FEATURES OF THE ION PATHWAY, THE VOLTAGE SENSOR AND THE ION SELECTIVITY FILTER
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Burger, A, Huber, R.
Deposit date:1994-06-29
Release date:1995-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and electrophysiological analysis of annexin V mutants. Mutagenesis of human annexin V, an in vitro voltage-gated calcium channel, provides information about the structural features of the ion pathway, the voltage sensor and the ion selectivity filter
J.Mol.Biol., 237, 1994
1HVG
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BU of 1hvg by Molmil
STRUCTURAL AND ELECTROPHYSIOLOGICAL ANALYSIS OF ANNEXIN V MUTANTS. MUTAGENESIS OF HUMAN ANNEXIN V, AN IN VITRO VOLTAGE-GATED CALCIUM CHANNEL, PROVIDES INFORMATION ABOUT THE STRUCTURAL FEATURES OF THE ION PATHWAY, THE VOLTAGE SENSOR AND THE ION SELECTIVITY FILTER
Descriptor: ANNEXIN V
Authors:Burger, A, Huber, R.
Deposit date:1994-06-29
Release date:1995-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and electrophysiological analysis of annexin V mutants. Mutagenesis of human annexin V, an in vitro voltage-gated calcium channel, provides information about the structural features of the ion pathway, the voltage sensor and the ion selectivity filter
J.Mol.Biol., 237, 1994
1U79
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BU of 1u79 by Molmil
Crystal structure of AtFKBP13
Descriptor: FKBP-type peptidyl-prolyl cis-trans isomerase 3
Authors:Gopalan, G, Swaminathan, K.
Deposit date:2004-08-03
Release date:2004-09-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural analysis uncovers a role for redox in regulating FKBP13, an immunophilin of the chloroplast thylakoid lumen
Proc.Natl.Acad.Sci.Usa, 101, 2004
2PVG
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BU of 2pvg by Molmil
Crystal srtucture of the binary complex between ferredoxin and ferredoxin:thioredoxin reductase
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, Ferredoxin-thioredoxin reductase, ...
Authors:Dai, S.
Deposit date:2007-05-09
Release date:2007-07-10
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase.
Nature, 448, 2007
2PVO
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BU of 2pvo by Molmil
Crystal srtucture of the ternary complex between thioredoxin f, ferredoxin, and ferredoxin: thioredoxin reductase
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, Ferredoxin-thioredoxin reductase, ...
Authors:Dai, S.
Deposit date:2007-05-09
Release date:2007-07-10
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase.
Nature, 448, 2007
8B6K
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BU of 8b6k by Molmil
The crystal structure of M644G variant of DNA Pol Epsilon containing dCTP in the polymerase active site
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
Authors:Parkash, V, Johansson, E.
Deposit date:2022-09-27
Release date:2023-10-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B67
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BU of 8b67 by Molmil
The crystal structure of M644G variant of DNA Pol Epsilon containing CTP in the polymerase active site
Descriptor: ACETATE ION, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Parkash, V, Johansson, E.
Deposit date:2022-09-26
Release date:2023-10-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B7E
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BU of 8b7e by Molmil
The crystal structure of N828V variant of DNA Pol Epsilon containing UTP in the polymerase active site
Descriptor: CALCIUM ION, DNA polymerase epsilon catalytic subunit A, GLYCEROL, ...
Authors:Parkash, V, Johansson, E.
Deposit date:2022-09-29
Release date:2023-10-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B79
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BU of 8b79 by Molmil
The crystal structure of M644G variant of DNA Pol Epsilon containing UTP in the polymerase active site
Descriptor: ACETATE ION, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
Authors:Parkash, V, Johansson, E.
Deposit date:2022-09-29
Release date:2023-10-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B77
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BU of 8b77 by Molmil
The crystal structure of N828V variant of DNA Pol Epsilon containing dATP in the polymerase active site
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
Authors:Parkash, V, Johansson, E.
Deposit date:2022-09-29
Release date:2023-10-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B76
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BU of 8b76 by Molmil
The crystal structure of M644G variant of DNA Pol Epsilon containing dTTP in the polymerase active site
Descriptor: ACETATE ION, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
Authors:Parkash, V, Johansson, E.
Deposit date:2022-09-28
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
4GJ2
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BU of 4gj2 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Descriptor: 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-09
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
6O9R
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BU of 6o9r by Molmil
The capsid structure of empty AAVrh.10 particles
Descriptor: Capsid protein VP1
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2019-03-14
Release date:2019-12-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8.
J.Virol., 94, 2020
4GII
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BU of 4gii by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Descriptor: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-08
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
6OV1
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BU of 6ov1 by Molmil
Structure of Staphylococcus aureus RNase P protein mutant with defective mRNA degradation activity
Descriptor: Ribonuclease P protein component
Authors:Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P.
Deposit date:2019-05-06
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Genetic and biochemical characterization of Staphylococcus aureus RnpA
To Be Published
8GKV
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BU of 8gkv by Molmil
Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X.
Deposit date:2023-03-20
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis
to be published

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