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4YRE
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BU of 4yre by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (2-bromophenyl)methanol (Chem 145)
分子名称: (2-bromophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
3B5H
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BU of 3b5h by Molmil
Crystal structure of the extracellular portion of HAb18G/CD147
分子名称: ACETATE ION, Cervical EMMPRIN
著者Yu, X.-L, Chen, Z.-N.
登録日2007-10-26
公開日2008-05-06
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of HAb18G/CD147: implications for immunoglobulin superfamily homophilic adhesion.
J.Biol.Chem., 283, 2008
4YRI
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BU of 4yri by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
分子名称: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRR
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BU of 4yrr by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)acetamide (Chem 1691)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2H4M
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BU of 2h4m by Molmil
Karyopherin Beta2/Transportin-M9NLS
分子名称: Heterogeneous nuclear ribonucleoprotein A1, Transportin-1
著者Chook, Y.M, Cansizoglu, A.E.
登録日2006-05-24
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Rules for nuclear localization sequence recognition by karyopherin beta 2.
Cell(Cambridge,Mass.), 126, 2006
6AG0
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BU of 6ag0 by Molmil
The X-ray Crystallographic Structure of Maltooligosaccharide-forming Amylase from Bacillus stearothermophilus STB04
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, CALCIUM ION
著者Li, Z.F, Li, Y.L, Ban, X.F, Zhang, C.Y, Jin, T.C, Xie, X.F, Gu, Z.B, Li, C.M.
登録日2018-08-09
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04.
Int.J.Biol.Macromol., 138, 2019
2LH0
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BU of 2lh0 by Molmil
NMR structure of the histone-interacting N-terminal homodimeric region of Rtt106
分子名称: Histone chaperone RTT106
著者Hu, Q, Cui, G, Mer, G.
登録日2011-08-04
公開日2012-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for recognition of H3K56-acetylated histone H3-H4 by the chaperone Rtt106.
Nature, 483, 2012
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
著者Merritt, E.A.
登録日2015-03-17
公開日2016-04-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
分子名称: Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-08-14
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4MX9
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CDPK1 from Neospora caninum in complex with inhibitor UW1294
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4MXA
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BU of 4mxa by Molmil
CDPK1 from Neospora caninum in complex with inhibitor RM-1-132
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
8Y6U
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BU of 8y6u by Molmil
Cryo-EM structure of E.coli transcription initiation complex with transcription factor GcvA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Shi, J.
登録日2024-02-03
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献NMR analysis of a loop-bulge structure of UUCGA pentaloop.
Biochem.Biophys.Res.Commun., 691, 2024
4M0U
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BU of 4m0u by Molmil
crystal structure of human PRS1 Q133P mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-08-02
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
4LZO
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BU of 4lzo by Molmil
Crystal structure of human PRS1 A87T mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-07-31
公開日2015-02-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
4LYG
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BU of 4lyg by Molmil
Crystal structure of human PRS1 E43T mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-07-31
公開日2015-02-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
4LZN
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BU of 4lzn by Molmil
Crystal structure of human PRS1 D65N mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-07-31
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
4M0P
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BU of 4m0p by Molmil
Crystal structure of human PRS1 M115T mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-08-01
公開日2015-02-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
4PY2
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BU of 4py2 by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor 1-{3-[(3,5-DICHLOROBENZYL)AMINO]PROPYL}-3-THIOPHEN-3-YLUREA
分子名称: 1,2-ETHANEDIOL, 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, Methionine--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-03-25
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
4QN0
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BU of 4qn0 by Molmil
Crystal structure of the CPS-6 mutant Q130K
分子名称: Endonuclease G, mitochondrial, MAGNESIUM ION
著者Lin, J.L.J, Yuan, H.S.
登録日2014-06-17
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Oxidative Stress Impairs Cell Death by Repressing the Nuclease Activity of Mitochondrial Endonuclease G
Cell Rep, 16, 2016
6VBN
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BU of 6vbn by Molmil
Crystal Structure of hTDO2 bound to inhibitor GNE1
分子名称: 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
著者Harris, S.F, Oh, A.
登録日2019-12-19
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4RUL
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BU of 4rul by Molmil
Crystal structure of full-length E.Coli topoisomerase I in complex with ssDNA
分子名称: DNA topoisomerase 1, GLYCEROL, SULFATE ION, ...
著者Tan, K, Chen, B, Tse-Dinh, Y.C.
登録日2014-11-20
公開日2015-11-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for suppression of hypernegative DNA supercoiling by E. coli topoisomerase I.
Nucleic Acids Res., 43, 2015
4U68
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BU of 4u68 by Molmil
Crystal structure of Rhino chromodomain in complex with H3K9me3
分子名称: H3K9me3, Rhino
著者Yu, B.W, Huang, Y.
登録日2014-07-28
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into Rhino-mediated germline piRNA cluster formation
Cell Res., 25, 2015
9BKM
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BU of 9bkm by Molmil
DHODH in complex with Ligand 10
分子名称: (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Shaffer, P.L.
登録日2024-04-29
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
9BKN
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DHODH in complex with Ligand 16
分子名称: (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ...
著者Shaffer, P.L.
登録日2024-04-29
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
9BKO
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DHODH in complex with Ligand 26
分子名称: (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ...
著者Shaffer, P.L.
登録日2024-04-29
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024

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