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PDB: 2998 results

6Y76
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BU of 6y76 by Molmil
AP01 - a redesigned transferrin receptor apical domain
Descriptor: SODIUM ION, Transferrin receptor protein 1
Authors:Oberdorfer, G, Berger, S.A, Bjelic, S, Sjostrom, D.J.
Deposit date:2020-02-28
Release date:2020-07-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Computational backbone design enables soluble engineering of transferrin receptor apical domain.
Proteins, 88, 2020
6Y48
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BU of 6y48 by Molmil
Baeyer-Villiger monooxygenase BVMOAFL210 from Aspergillus flavus in complex with NADP
Descriptor: Baeyer-Villiger monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Opperman, D.J, Tolmie, C.
Deposit date:2020-02-19
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Natural Variation in the ‘Control Loop’ of BVMOAFL210 and Its Influence on Regioselectivity and Sulfoxidation
Catalysts, 2020
6Y5H
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BU of 6y5h by Molmil
Ectodomain of X-31 Haemagglutinin at pH 5 (State I)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, ...
Authors:Benton, D.J, Rosenthal, P.B.
Deposit date:2020-02-25
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
6WBW
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BU of 6wbw by Molmil
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2020-03-27
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
6WBZ
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BU of 6wbz by Molmil
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group
Descriptor: (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2020-03-28
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
6YL1
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BU of 6yl1 by Molmil
Cdk2(F80C) with Covalent Adduct TK37 at F80C
Descriptor: Cyclin-dependent kinase 2, methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2020-04-06
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
6Y5I
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BU of 6y5i by Molmil
Dilated form 1 of X-31 Influenza Haemagglutinin at pH 5 (State II)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, ...
Authors:Benton, D.J, Rosenthal, P.B.
Deposit date:2020-02-25
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
6XDM
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BU of 6xdm by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-06-11
Release date:2020-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance.
Acs Med.Chem.Lett., 11, 2020
6XWR
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BU of 6xwr by Molmil
Structure of glutamate transporter homologue GltTk in sodium only condition
Descriptor: Proton/glutamate symporter, SDF family
Authors:Arkhipova, V, Slotboom, D.J, Guskov, A.
Deposit date:2020-01-24
Release date:2020-03-04
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structural ensemble of a glutamate transporter homologue in lipid nanodisc environment.
Nat Commun, 11, 2020
6Y5G
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BU of 6y5g by Molmil
Ectodomain of X-31 Haemagglutinin at pH 8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, ...
Authors:Benton, D.J, Rosenthal, P.B.
Deposit date:2020-02-25
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
6Y5L
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BU of 6y5l by Molmil
Signal Subtracted Extended Intermediate form of X-31 Influenza Haemagglutinin at pH 5 (State IV)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1,X-31 Influenza Haemagglutinin HA1, X-31 Influenza Haemagglutinin HA2
Authors:Benton, D.J, Rosenthal, P.B.
Deposit date:2020-02-25
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
6YL6
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BU of 6yl6 by Molmil
Cdk2(F80C)
Descriptor: Cyclin-dependent kinase 2
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2020-04-06
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
6Y5J
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BU of 6y5j by Molmil
Dilated form 2 of X-31 Influenza Haemagglutinin at pH 5 (State III)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, ...
Authors:Benton, D.J, Rosenthal, P.B.
Deposit date:2020-02-25
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
6YAE
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BU of 6yae by Molmil
AP2 core in physiological buffer
Descriptor: AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
Authors:Kane Dickson, V, Kovtun, O, Kelly, B.T, Owen, D.J, Briggs, J.A.G.
Deposit date:2020-03-12
Release date:2020-07-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Architecture of the AP2/clathrin coat on the membranes of clathrin-coated vesicles.
Sci Adv, 6, 2020
6YLK
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BU of 6ylk by Molmil
Cdk2(F80C) with Covalent Adduct TK22 at F80C
Descriptor: Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2020-04-07
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
8J67
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BU of 8j67 by Molmil
Crystal structure of Toxoplasma gondii M2AP
Descriptor: MIC2-associated protein
Authors:Wang, F.F, Zhang, D.J, Zhang, S, Springer, T.A, Song, G.J.
Deposit date:2023-04-24
Release date:2023-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural insights into MIC2 recognition by MIC2-associated protein in Toxoplasma gondii.
Commun Biol, 6, 2023
8J64
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BU of 8j64 by Molmil
Crystal structure of Toxoplasma gondii MIC2-M2AP complex
Descriptor: MIC2-associated protein, Micronemal protein MIC2
Authors:Zhang, S, Wang, F.F, Zhang, D.J, Song, G.J, Springer, T.A.
Deposit date:2023-04-24
Release date:2023-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into MIC2 recognition by MIC2-associated protein in Toxoplasma gondii.
Commun Biol, 6, 2023
5KO1
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BU of 5ko1 by Molmil
Pseudokinase Domain of MLKL bound to Compound 4.
Descriptor: Mixed lineage kinase domain-like protein, [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
Authors:Marcotte, D.J.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
4QUC
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BU of 4quc by Molmil
Crystal structure of chromodomain of Rhino
Descriptor: RE36324p
Authors:Li, S, Patel, D.J.
Deposit date:2014-07-10
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014
4QUF
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BU of 4quf by Molmil
crystal structure of chromodomain of Rhino with H3K9me3
Descriptor: H3(1-15)K9me3 peptide, RE36324p
Authors:Li, S, Patel, D.J.
Deposit date:2014-07-10
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014
1VBA
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BU of 1vba by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBE
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BU of 1vbe by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN, MUTANT 242-H2) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBC
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BU of 1vbc by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R77975
Descriptor: (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBB
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BU of 1vbb by Molmil
POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R80633
Descriptor: (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBD
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BU of 1vbd by Molmil
POLIOVIRUS (TYPE 1, MAHONEY STRAIN) COMPLEXED WITH R78206
Descriptor: (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY
Authors:Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994

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