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8GQ9
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Crystal structure of lasso peptide epimerase MslH
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-08-29
Release date:2023-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8GQB
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Crystal structure of lasso peptide epimerase MslH D11A mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-08-29
Release date:2023-06-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
3FB7
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Open KcsA potassium channel in the presence of Rb+ ion
Descriptor: RUBIDIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ...
Authors:Cuello, L.G, Jogini, V, Cortes, D.M, Pan, A.C, Gagnon, D.H, Cordero-Morales, J.F, Chakrapani, S, Roux, B, Perozo, E.
Deposit date:2008-11-18
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Open KcsA potassium channel in the presence of Rb+ ion
TO BE PUBLISHED
3JBV
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Mechanisms of Ribosome Stalling by SecM at Multiple Elongation Steps
Descriptor: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Zhang, J, Pan, X.J, Yan, K.G, Sun, S, Gao, N, Sui, S.F.
Deposit date:2015-10-16
Release date:2016-01-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Mechanisms of ribosome stalling by SecM at multiple elongation steps
Elife, 4, 2015
3JBU
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BU of 3jbu by Molmil
Mechanisms of Ribosome Stalling by SecM at Multiple Elongation Steps
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Zhang, J, Pan, X.J, Yan, K.G, Sun, S, Gao, N, Sui, S.F.
Deposit date:2015-10-16
Release date:2016-01-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Mechanisms of ribosome stalling by SecM at multiple elongation steps
Elife, 4, 2015
7BV6
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BU of 7bv6 by Molmil
Crystal structure of the autophagic STX17/SNAP29/VAMP8 SNARE complex
Descriptor: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
Authors:Li, Y, Pan, L.F.
Deposit date:2020-04-09
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Descriptor: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
Authors:Sheriff, S.
Deposit date:2020-08-11
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
3UAJ
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BU of 3uaj by Molmil
Crystal structure of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, monoclonal antibody 5H2, ...
Authors:Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A.
Deposit date:2011-10-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.232 Å)
Cite:Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus.
Embo J., 31, 2012
3FOE
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Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Descriptor: 7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*AP*CP*CP*AP*AP*GP*GP*TP*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3'), ...
Authors:Laponogov, I, Sohi, M.K, Veselkov, D.A, Pan, X.-S, Sawhney, R, Thompson, A.W, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2008-12-30
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.001 Å)
Cite:Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Nat.Struct.Mol.Biol., 16, 2009
5CJF
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The crystal structure of the human carbonic anhydrase XIV in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor.
Descriptor: 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide, Carbonic anhydrase 14, GLYCEROL, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2015-07-14
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors.
J.Med.Chem., 58, 2015
3FOF
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Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*AP*CP*CP*AP*AP*GP*GP*TP*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3'), ...
Authors:Laponogov, I, Sohi, M.K, Veselkov, D.A, Pan, X.-S, Sawhney, R, Thompson, A.W, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2008-12-30
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Nat.Struct.Mol.Biol., 16, 2009
5D7H
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BU of 5d7h by Molmil
X-RAY CRYSTAL STRUCTURE OF L,D TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: GLYCEROL, L,D-transpeptidase 2, SULFATE ION
Authors:Saavedra, H, Basta, L.A, Lamichhane, G, Bianchet, M.A.
Deposit date:2015-08-13
Release date:2016-09-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem.
BMC Biochem., 18, 2017
7B1T
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BU of 7b1t by Molmil
Crystal structure of BRD4(1) in complex with the inhibitor MPM6
Descriptor: 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Huegle, M.
Deposit date:2020-11-25
Release date:2022-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A novel pan-selective bromodomain inhibitor for epigenetic drug design.
Eur.J.Med.Chem., 249, 2023
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
Descriptor: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
4JPS
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BU of 4jps by Molmil
Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2013-03-19
Release date:2014-04-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.
Bioorg.Med.Chem.Lett., 23, 2013
7CWL
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BU of 7cwl by Molmil
SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2021-01-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWM
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BU of 7cwm by Molmil
Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P17 heavy chain, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
1K5R
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BU of 1k5r by Molmil
YAP65 WW domain S24-Amino-Ethylsulfanyl-Acetic Acid mutant
Descriptor: 65 KDA YES-ASSOCIATED PROTEIN, Fragment of WBP-1
Authors:Ferguson, N, Pires, J.R, Toepert, F, Johnson, C.M, Pan, Y.P, Volkmer-Engert, R, Schneider-Mergener, J, Daggett, V, Oschkinat, H, Fersht, A.R.
Deposit date:2001-10-12
Release date:2001-11-02
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Using flexible loop mimetics to extend phi-value analysis to secondary structure interactions.
Proc.Natl.Acad.Sci.USA, 98, 2001
7CWN
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P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7X32
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BU of 7x32 by Molmil
Crystal structure of E. coli NfsB in complex with berberine
Descriptor: BERBERINE, DIMETHYL SULFOXIDE, Dihydropteridine reductase, ...
Authors:Zhang, H, Wen, H.Y.
Deposit date:2022-02-27
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:Structural basis for the transformation of the traditional medicine berberine by bacterial nitroreductase.
Acta Crystallogr D Struct Biol, 78, 2022
3EU0
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BU of 3eu0 by Molmil
Crystal structure of the S-nitrosylated Cys215 of PTP1B
Descriptor: Tyrosine-protein phosphatase non-receptor type 1
Authors:Chu, H.M, Wang, A.H.J, Chen, Y.Y, Pan, K.T, Wang, D.L, Khoo, K.H, Meng, T.C.
Deposit date:2008-10-09
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cysteine S-Nitrosylation Protects Protein-tyrosine Phosphatase 1B against Oxidation-induced Permanent Inactivation
J.Biol.Chem., 283, 2008
4V3U
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BU of 4v3u by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3F70
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BU of 3f70 by Molmil
Crystal structure of L3MBTL2-H4K20me1 complex
Descriptor: Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
Authors:Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-11-07
Release date:2009-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
1JO2
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BU of 1jo2 by Molmil
Crystal Structure of the B-DNA Hexamer (CgATCG).Daunomycin Complex Containing a Ribose at the Intercalation Site
Descriptor: 5'-D(*C)-R(P*G)-D(P*AP*TP*CP*G)-3', DAUNOMYCIN
Authors:Shi, K, Pan, B, Sundaralingam, M.
Deposit date:2001-07-26
Release date:2003-07-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a B-form DNA/RNA chimera (dC)(rG)d(ATCG) complexed with daunomycin at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
1JPY
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BU of 1jpy by Molmil
Crystal structure of IL-17F
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:Hymowitz, S.G, Filvaroff, E.H, Yin, J, Lee, J, Cai, L, Risser, P, Maruoka, M, Mao, W, Foster, J, Kelley, R, Pan, G, Gurney, A.L, de Vos, A.M, Starovasnik, M.A.
Deposit date:2001-08-03
Release date:2001-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:IL-17s adopt a cystine knot fold: structure and activity of a novel cytokine, IL-17F, and implications for receptor binding.
EMBO J., 20, 2001

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