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3L0R
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BU of 3l0r by Molmil
Crystal Structure of Salivary Cystatin from the Soft Tick Ornithodoros moubata
分子名称: CHLORIDE ION, Cystatin-2, GLYCEROL
著者Rezacova, P, Brynda, J, Andersen, J.F, Salat, J, Kovarova, Z, Mares, M.
登録日2009-12-10
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure and functional characterization of an immunomodulatory salivary cystatin from the soft tick Ornithodoros moubata
Biochem.J., 429, 2010
8OKA
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BU of 8oka by Molmil
Human Mitochondrial Lon Y394F Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-28
公開日2024-04-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OM7
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BU of 8om7 by Molmil
Human Mitochondrial Lon Y186E Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-31
公開日2024-04-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OJL
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BU of 8ojl by Molmil
Human Mitochondrial Lon Y394E Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-03-24
公開日2024-04-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
3FVM
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BU of 3fvm by Molmil
Crystal structure of Steptococcus suis mannonate dehydratase with metal Mn++
分子名称: MANGANESE (II) ION, Mannonate dehydratase
著者Peng, H, Zhang, Q.J, Gao, F, Liu, Y, Gao, F.G.
登録日2009-01-16
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism
J.Bacteriol., 191, 2009
8P1B
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BU of 8p1b by Molmil
Lysozyme structure solved from serial crystallography data collected at 2 kHz with JUNGFRAU detector at MAXIV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
登録日2023-05-11
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
8P1A
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BU of 8p1a by Molmil
Lysozyme structure solved from serial crystallography data collected at 2 kHz for 5 seconds with JUNGFRAU detector at MAXIV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
登録日2023-05-11
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
8P1C
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BU of 8p1c by Molmil
Lysozyme structure solved from serial crystallography data collected at 1 kHz with JUNGFRAU detector at MAXIV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
登録日2023-05-11
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
8P1D
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BU of 8p1d by Molmil
Lysozyme structure solved from serial crystallography data collected at 100 Hz with JUNGFRAU detector at MAXIV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
登録日2023-05-11
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
8OVF
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BU of 8ovf by Molmil
Human Mitochondrial Lon Y186F Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-04-26
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7.23 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OVG
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BU of 8ovg by Molmil
Human Mitochondrial Lon Y186E Mutant ADP Bound
分子名称: Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-04-26
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.47 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8SBJ
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BU of 8sbj by Molmil
Co-structure Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform complexed with brain penetrant inhibitors
分子名称: (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Elling, R.A, Tang, J.
登録日2023-04-03
公開日2023-07-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
8SBC
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BU of 8sbc by Molmil
Co-structure of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform and brain penetrant inhibitors
分子名称: (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Knapp, M.S, Elling, R.A, Tang, J.
登録日2023-04-03
公開日2023-07-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
8TQD
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BU of 8tqd by Molmil
NF-Kappa-B1 Bound with a Covalent Inhibitor
分子名称: 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit
著者Hilbert, B.J.
登録日2023-08-07
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
6SLG
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BU of 6slg by Molmil
HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364.
分子名称: (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ...
著者Breed, J, Phillips, C.
登録日2019-08-19
公開日2019-11-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC).
J.Med.Chem., 62, 2019
3H42
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BU of 3h42 by Molmil
Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody
分子名称: Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ...
著者Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E.
登録日2009-04-17
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IWR
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BU of 3iwr by Molmil
Crystal structure of class I chitinase from Oryza sativa L. japonica
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chitinase
著者Kezuka, Y, Watanabe, T, Nonaka, T.
登録日2009-09-03
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering.
Proteins, 78, 2010
5EDS
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BU of 5eds by Molmil
Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5
分子名称: 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2015-10-21
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
3IRM
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BU of 3irm by Molmil
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH Cycloguanil
分子名称: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, ACETATE ION, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
登録日2009-08-24
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
6EOY
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BU of 6eoy by Molmil
Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline
分子名称: 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin
著者Leite, J.P, Gales, L.
登録日2017-10-10
公開日2021-10-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease.
Eur.J.Med.Chem., 226, 2021
3IRO
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BU of 3iro by Molmil
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase complexed with NADPH and Q-8 antifolate
分子名称: 5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine, ACETATE ION, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
登録日2009-08-24
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
3INV
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BU of 3inv by Molmil
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE
分子名称: 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
登録日2009-08-13
公開日2010-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
3IRN
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BU of 3irn by Molmil
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil
分子名称: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
登録日2009-08-24
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
6IZM
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BU of 6izm by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 1l
分子名称: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
著者Matsui, Y, Hanzawa, H.
登録日2018-12-20
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
6D8E
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BU of 6d8e by Molmil
Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor
分子名称: (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate, Epidermal growth factor receptor
著者Park, E, Eck, M.J.
登録日2018-04-26
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.537 Å)
主引用文献Discovery of a Highly Potent and Broadly Effective Epidermal Growth Factor Receptor and HER2 Exon 20 Insertion Mutant Inhibitor.
Angew. Chem. Int. Ed. Engl., 57, 2018

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