PDB Search results for query - Protein Data Bank Japan

PDB: 245011 results Info pages Status search Chemie search BIRD

Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure
Descriptor:	VK2, ~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
Authors:	Kotar, A, Kocman, V, Plavec, J.
Deposit date:	2019-09-24
Release date:	2019-12-11
Last modified:	2024-05-15
Method:	SOLUTION NMR
Cite:	Intercalation of a Heterocyclic Ligand between Quartets in a G-Rich Tetrahelical Structure. Chemistry, 26, 2020

4PV7

Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor
Descriptor:	1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine, Dipeptidyl peptidase 4 soluble form
Authors:	Xiao, P, Guo, R, Huang, S, Cui, H, Ye, S, Zhang, Z.
Deposit date:	2014-03-15
Release date:	2015-03-18
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (3.24 Å)
Cite:	Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold Chin.Chem.Lett., 25, 2014

4B8M

Aurora B kinase in complex with VX-680
Descriptor:	AURORA KINASE B-A, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, INNER CENTROMERE PROTEIN A
Authors:	Sessa, F, Villa, F.
Deposit date:	2012-08-28
Release date:	2013-07-10
Last modified:	2024-11-13
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Structural and Biochemical Analysis of an Aurora B Kinase Mutant Reveals a Multistep Activation Mechanism To be Published

4P8J

Structure of ribB
Descriptor:	3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL
Authors:	Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S.
Deposit date:	2014-03-31
Release date:	2015-03-25
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.96 Å)
Cite:	Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015

3OKH

Crystal structure of human FXR in complex with 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
Descriptor:	2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:	Rudolph, M.G.
Deposit date:	2010-08-25
Release date:	2010-12-29
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (2.5 Å)
Cite:	Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes Bioorg.Med.Chem.Lett., 21, 2010

1UY3

Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor:	CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:	Van Bueren, A.L, Boraston, A.B.
Deposit date:	2004-03-01
Release date:	2004-06-18
Last modified:	2023-12-13
Method:	X-RAY DIFFRACTION (1.89 Å)
Cite:	Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites. J.Mol.Biol., 340, 2004

4PNU

E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((R)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor:	(2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:	Yin, Z, Oakley, A.J.
Deposit date:	2014-02-21
Release date:	2014-03-05
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015

7HIF

Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z33546965 (CHIKV_MacB-x1491)
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, CHLORIDE ION, ...
Authors:	Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:	2024-10-02
Release date:	2024-10-16
Method:	X-RAY DIFFRACTION (1.51 Å)
Cite:	Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain To Be Published

7HIJ

Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z4628744292 (CHIKV_MacB-x1739)
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(4-methyl-1H-pyrazol-5-yl)pyridine, CHLORIDE ION, ...
Authors:	Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:	2024-10-02
Release date:	2024-10-16
Method:	X-RAY DIFFRACTION (1.46 Å)
Cite:	Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain To Be Published

7HIK

Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z362020366 and Z19674820 (CHIKV_MacB-x1742)
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, ...
Authors:	Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:	2024-10-02
Release date:	2024-10-16
Method:	X-RAY DIFFRACTION (1.51 Å)
Cite:	Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain To Be Published

7HIB

Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0015381-001 (CHIKV_MacB-x2183)
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:	Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:	2024-10-02
Release date:	2024-10-16
Method:	X-RAY DIFFRACTION (1.58 Å)
Cite:	Group deposition of Chikungunya virus nsP3 macrodomain in complex with SARS-CoV-2 NSP3 Macrodomain inhibitors To Be Published

2WKE

Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate.
Descriptor:	(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, ...
Authors:	Sauvage, E, Herman, R, Kerff, F, Charlier, P.
Deposit date:	2009-06-10
Release date:	2009-12-01
Last modified:	2024-11-20
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate. J.Am.Chem.Soc., 131, 2009

5XT8

Magnesium bound apo structure of thymidylate kinase (form I) from Thermus thermophilus HB8
Descriptor:	1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:	Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:	2017-06-17
Release date:	2018-04-18
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.01 Å)
Cite:	Structural and functional roles of dynamically correlated residues in thymidylate kinase. Acta Crystallogr D Struct Biol, 74, 2018

2ZQC

Aztreonam acyl-intermediate structure of class a beta-lactam Toho-1 E166A/R274N/R276N triple mutant
Descriptor:	2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1, SULFATE ION
Authors:	Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:	2008-08-07
Release date:	2009-07-28
Last modified:	2024-10-09
Method:	X-RAY DIFFRACTION (1.07 Å)
Cite:	Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates To be Published

7HIS

Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188455-02 (CHIKV_MacB-x2364)
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:	Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F.
Deposit date:	2024-10-04
Release date:	2024-10-16
Method:	X-RAY DIFFRACTION (1.42 Å)
Cite:	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published

4PKW

Anthrax toxin lethal factor with bound small molecule inhibitor GM6001
Descriptor:	1,2-ETHANEDIOL, 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, GLYCEROL, ...
Authors:	Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:	2014-05-15
Release date:	2014-11-12
Last modified:	2023-12-27
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding. Acta Crystallogr.,Sect.D, 70, 2014

7HID

Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z50145861 (CHIKV_MacB-x1487)
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, ...
Authors:	Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:	2024-10-02
Release date:	2024-10-16
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain To Be Published

1UU6

X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED CELLOPENTAOSE
Descriptor:	ENDO-BETA-1,4-GLUCANASE, TETRAETHYLENE GLYCOL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:	Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M.
Deposit date:	2003-12-15
Release date:	2004-09-16
Last modified:	2024-11-13
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A J.Mol.Biol., 342, 2004

7HIW

Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188504-02 (CHIKV_MacB-x2437)
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:	Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Almahli, H, Balcomb, B.H, Capkin, E, Chandran, A.V, Chen, W, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Saleem, R.S.Z, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Todd, M.H, Fearon, D, von Delft, F.
Deposit date:	2024-10-04
Release date:	2024-10-16
Method:	X-RAY DIFFRACTION (1.41 Å)
Cite:	Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center To Be Published

3SQQ

CDK2 in complex with inhibitor RC-3-96
Descriptor:	1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:	Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:	2011-07-06
Release date:	2012-10-31
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013

5O72

17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor:	17-beta-hydroxysteroid dehydrogenase 14, 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:	Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:	2017-06-07
Release date:	2018-06-06
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (1.91 Å)
Cite:	Structure-based design and profiling of novel 17 beta-HSD14 inhibitors. Eur J Med Chem, 155, 2018

5XDK

Crystal structure of EGFR 696-1022 T790M in complex with CO-1686
Descriptor:	Epidermal growth factor receptor, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Authors:	Yan, X.E, Yun, C.H.
Deposit date:	2017-03-28
Release date:	2017-12-13
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (2.346 Å)
Cite:	Structural basis of mutant-selectivity and drug-resistance related to CO-1686. Oncotarget, 8, 2017

2WKI

Crystal structure of the OXA-10 K70C mutant at pH 7.0
Descriptor:	1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, GLYCEROL, ...
Authors:	Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:	2009-06-11
Release date:	2010-08-25
Last modified:	2024-10-09
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70. Biochem.J., 432, 2010

3FGY

CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN (BXE_B1094) FROM BURKHOLDERIA XENOVORANS LB400 AT 1.59 A RESOLUTION
Descriptor:	DI(HYDROXYETHYL)ETHER, UNKNOWN LIGAND, uncharacterized NTF2-like protein
Authors:	Joint Center for Structural Genomics (JCSG)
Deposit date:	2008-12-08
Release date:	2008-12-23
Last modified:	2024-11-20
Method:	X-RAY DIFFRACTION (1.59 Å)
Cite:	Crystal structure of NTF2-like protein of unknown function. (YP_554211.1) from BURKHOLDERIA XENOVORANS LB400 at 1.59 A resolution To be published

1E5J

ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE
Descriptor:	CALCIUM ION, ENDOGLUCANASE 5A, alpha-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside
Authors:	Fort, S, Varrot, A, Schulein, M, Cottaz, S, Driguez, H, Davies, G.J.
Deposit date:	2000-07-26
Release date:	2001-07-26
Last modified:	2024-05-08
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Mixed-Linkage Cellooligosaccharides: A New Class of Glycoside Hydrolase Inhibitors Chembiochem, 2, 2001

<2365 2366 2367 2368 2369 2370 237123722373 2374 2375 2376 2377 2378 2379 2380 >

Total results:	245011
Displayed results:	25
Sorted by:	Hit score (from highest)
Query:	{{{1}}}