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6J5Q
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BU of 6j5q by Molmil
OspA mutant, PSAM-VLGDV1-form7, grafted short chameleon sequence from alpha-B crystallin
Descriptor: Outer surface protein A
Authors:Fujiwara, H, Makabe, K.
Deposit date:2019-01-11
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
6J6E
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BU of 6j6e by Molmil
Borrelia burgdorferi OspA via surface entropy reduction (form5)
Descriptor: Outer surface protein A
Authors:Fujiwara, H, Makabe, K.
Deposit date:2019-01-14
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
6J5O
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BU of 6j5o by Molmil
OspA mutant, PSAM-VLGDV1-form5, grafted short chameleon sequence from alpha-B crystallin
Descriptor: Outer surface protein A
Authors:Fujiwara, H, Makabe, K.
Deposit date:2019-01-11
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
6J6B
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BU of 6j6b by Molmil
Borrelia burgdorferi OspA via surface entropy reduction (form2)
Descriptor: Outer surface protein A
Authors:Fujiwara, H, Makabe, K.
Deposit date:2019-01-14
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
6J5R
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BU of 6j5r by Molmil
OspA mutant, PSAM-VLGDV1-form8, grafted short chameleon sequence from alpha-B crystallin
Descriptor: Outer surface protein A
Authors:Fujiwara, H, Makabe, K.
Deposit date:2019-01-11
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
6J5P
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BU of 6j5p by Molmil
OspA mutant, PSAM-VLGDV1-form6, grafted short chameleon sequence from alpha-B crystallin
Descriptor: Outer surface protein A
Authors:Fujiwara, H, Makabe, K.
Deposit date:2019-01-11
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
6J6D
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BU of 6j6d by Molmil
Borrelia burgdorferi OspA via surface entropy reduction (form4)
Descriptor: Outer surface protein A
Authors:Fujiwara, H, Makabe, K.
Deposit date:2019-01-14
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
6JLR
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BU of 6jlr by Molmil
Crystal structure of wild type MNK2 in complex with inhibitor
Descriptor: 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2
Authors:Baburajendran, N, Hill, J.
Deposit date:2019-03-06
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.
J.Med.Chem., 63, 2020
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Joy, J.
Deposit date:2018-10-10
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
5YIG
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BU of 5yig by Molmil
Crystal structure of Streptococcus pneumonia ParE with inhibitor
Descriptor: 1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea, DNA topoisomerase 4 subunit B
Authors:Cherian, J, Tan, Y, Hill, J.
Deposit date:2017-10-04
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria.
Eur J Med Chem, 157, 2018
4J22
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BU of 4j22 by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4IUE
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BU of 4iue by Molmil
Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one
Descriptor: 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-01-21
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J3M
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BU of 4j3m by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid, GLYCEROL, SULFATE ION, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-06
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J1Z
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BU of 4j1z by Molmil
Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one
Descriptor: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E.
Deposit date:2013-02-03
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J21
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BU of 4j21 by Molmil
Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Descriptor: 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J3L
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BU of 4j3l by Molmil
Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Descriptor: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
3AQ1
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BU of 3aq1 by Molmil
Open state monomer of a group II chaperonin from methanococcoides burtonii
Descriptor: Thermosome subunit
Authors:Harrop, S.J, Pilak, O, Siddiqui, K.S, De Francisci, D, Burg, D, Williams, T.J, Cavicchioli, R, Curmi, P.M.
Deposit date:2010-10-24
Release date:2011-09-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.746 Å)
Cite:Chaperonins from an Antarctic archaeon are predominantly monomeric: crystal structure of an open state monomer.
ENVIRON.MICROBIOL., 13, 2011
3W51
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BU of 3w51 by Molmil
Tankyrase in complex with 2-hydroxy-4-methylquinoline
Descriptor: 4-methylquinolin-2-ol, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-01-18
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
7DXL
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BU of 7dxl by Molmil
Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors
Descriptor: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-01-19
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.146 Å)
Cite:Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.
Bioorg.Med.Chem., 49, 2021
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數據於2024-10-02公開中

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