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1Y2Y
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BU of 1y2y by Molmil
Structural Characterization of Nop10p using Nuclear Magnetic Resonance Spectroscopy
Descriptor: Ribosome biogenesis protein Nop10
Authors:Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M, Feigon, J.
Deposit date:2004-11-23
Release date:2005-12-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA
RNA, 12, 2006
3SZB
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BU of 3szb by Molmil
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Descriptor: 1-phenylpropan-1-one, ACETATE ION, Aldehyde dehydrogenase, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3SZA
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BU of 3sza by Molmil
Crystal structure of human ALDH3A1 - apo form
Descriptor: ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
5UQC
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BU of 5uqc by Molmil
Crystal structure of mouse CRMP2
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Dihydropyrimidinase-related protein 2
Authors:Khanna, M, Khanna, R, Perez-Miller, S, Francois-Moutal, L.
Deposit date:2017-02-07
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A single structurally conserved SUMOylation site in CRMP2 controls NaV1.7 function.
Channels (Austin), 11, 2017
2EUY
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BU of 2euy by Molmil
Solution structure of the internal loop of human U65 H/ACA snoRNA 3' hairpin
Descriptor: U65 box H/ACA snoRNA
Authors:Feigon, J, Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M.
Deposit date:2005-10-30
Release date:2006-01-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA.
Rna, 12, 2006
1U6D
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BU of 1u6d by Molmil
Crystal structure of the Kelch domain of human Keap1
Descriptor: kelch-like ECH-associated protein 1
Authors:Li, X, Zhang, D, Hannink, M, Beamer, L.J.
Deposit date:2004-07-29
Release date:2004-10-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the kelch domain of human keap1
J.Biol.Chem., 279, 2004
1ZGK
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BU of 1zgk by Molmil
1.35 angstrom structure of the Kelch domain of Keap1
Descriptor: Kelch-like ECH-associated protein 1
Authors:Li, X, Bottoms, C.A, Hannink, M, Beamer, L.J.
Deposit date:2005-04-21
Release date:2005-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Conserved solvent and side-chain interactions in the 1.35 Angstrom structure of the Kelch domain of Keap1.
Acta Crystallogr.,Sect.D, 61, 2005
3EPU
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BU of 3epu by Molmil
Crystal Structure of STM2138, a novel virulence chaperone in Salmonella
Descriptor: STM2138 Virulence Chaperone
Authors:Zhang, K, Andres, S.N, Hannemann, M, Coombes, B, Junop, M.
Deposit date:2008-09-30
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis and quantitative proteomic interactome of a novel virulence chaperone in Salmonella
To be Published
2FLU
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BU of 2flu by Molmil
Crystal Structure of the Kelch-Neh2 Complex
Descriptor: Kelch-like ECH-associated protein 1, Nrf2
Authors:Li, X, Lo, J, Beamer, L, Hannink, M.
Deposit date:2006-01-06
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Keap1:Nrf2 interface provides mechanistic insight into Nrf2 signaling.
Embo J., 25, 2006
3SZ9
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BU of 3sz9 by Molmil
Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one
Descriptor: 1,2-ETHANEDIOL, 1-(4-ethylphenyl)propan-1-one, Aldehyde dehydrogenase, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3ZM7
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BU of 3zm7 by Molmil
CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPCP
Descriptor: DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C.
Deposit date:2013-02-05
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion.
Biochem.J., 456, 2013
3ZKD
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BU of 3zkd by Molmil
CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP
Descriptor: DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C.
Deposit date:2013-01-22
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion.
Biochem.J., 456, 2013
3ZKB
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BU of 3zkb by Molmil
CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP
Descriptor: DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C.
Deposit date:2013-01-22
Release date:2013-09-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion.
Biochem.J., 456, 2013
8C2D
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BU of 8c2d by Molmil
14-3-3 in complex with Pyrin pS208
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, Pyrin pS208 peptide
Authors:Lau, R, Ottmann, C, Hann, M.
Deposit date:2022-12-22
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure and ligandability of the 14-3-3/pyrin interface.
Biochem.Biophys.Res.Commun., 651, 2023
8C28
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BU of 8c28 by Molmil
14-3-3 in complex with PyrinpS208pS242
Descriptor: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyrin
Authors:Lau, R, Ottmann, C, Hann, M.
Deposit date:2022-12-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:14-3-3/Pyrin complex
To Be Published
8C2Y
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BU of 8c2y by Molmil
14-3-3 in complex with Pyrinp pS242
Descriptor: 14-3-3 protein sigma, Pyrin pS242 peptide
Authors:Lau, R, Ottmann, C, Hann, M.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:14-3-3/Pyrin complex
To Be Published
4UXD
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BU of 4uxd by Molmil
2-keto 3-deoxygluconate aldolase from Picrophilus torridus
Descriptor: 1,2-ETHANEDIOL, 2-DEHYDRO-3-DEOXY-D-GLUCONATE/2-DEHYDRO-3-DEOXY-PHOSPHOGLUCONATE ALDOLASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Priftis, A, Zaitsev, V, Reher, M, Johnsen, U, Danson, M.J, Taylor, G.L, Schoenheit, P, Crennell, S.J.
Deposit date:2014-08-22
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the Substrate Specificity of Archaeal Entner-Doudoroff Aldolases: The Structures of Picrophilus torridus 2-Keto-3-deoxygluconate Aldolase and Sulfolobus solfataricus 2-Keto-3-deoxy-6-phosphogluconate Aldolase in Complex with 2-Keto-3-deoxy-6-phosphogluconate.
Biochemistry, 57, 2018
6EZV
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BU of 6ezv by Molmil
The cytotoxin MakA from Vibrio cholerae
Descriptor: ACETATE ION, CACODYLATE ION, GLYCEROL, ...
Authors:Persson, K, Dongre, M, Wai, S.N.
Deposit date:2017-11-16
Release date:2018-05-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Flagella-mediated secretion of a novelVibrio choleraecytotoxin affecting both vertebrate and invertebrate hosts.
Commun Biol, 1, 2018
4LQM
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BU of 4lqm by Molmil
EGFR L858R in complex with PD168393
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
Authors:Yun, C.H, Eck, M.J.
Deposit date:2013-07-19
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
4LRM
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BU of 4lrm by Molmil
EGFR D770_N771insNPG in complex with PD168393
Descriptor: Epidermal growth factor receptor, N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Authors:Yun, C.H, Eck, M.J.
Deposit date:2013-07-20
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.526 Å)
Cite:Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
6G3Z
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BU of 6g3z by Molmil
Sulfolobus sulfataricus 2-keto-3-deoxygluconate (KDG) aldolase complex with D-KDPG
Descriptor: 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase, 2-keto 3 deoxy 6 phospho gluconate, ISOPROPYL ALCOHOL
Authors:Crennell, S.J.
Deposit date:2018-03-26
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Insights into the Substrate Specificity of Archaeal Entner-Doudoroff Aldolases: The Structures of Picrophilus torridus 2-Keto-3-deoxygluconate Aldolase and Sulfolobus solfataricus 2-Keto-3-deoxy-6-phosphogluconate Aldolase in Complex with 2-Keto-3-deoxy-6-phosphogluconate.
Biochemistry, 57, 2018
6U63
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BU of 6u63 by Molmil
Mcl-1 bound to compound 17
Descriptor: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Stuckey, J.A.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U6F
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BU of 6u6f by Molmil
The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
Descriptor: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U65
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BU of 6u65 by Molmil
Mcl-1 bound to compound 19
Descriptor: 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ...
Authors:Stuckey, J.A.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U64
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BU of 6u64 by Molmil
Mcl-1 bound to compound 17
Descriptor: 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Stuckey, J.A.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020

 

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