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PDB: 51630 件

8HVA
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Crystal structure of EGFR_TMX in complex with covalently bound compound 14
分子名称: Epidermal growth factor receptor, ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
著者Takahashi, M, Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
7PQS
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BU of 7pqs by Molmil
SRPK1 in complex with MSC2711186
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
著者Schroeder, M, Leiendecker, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-09-20
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SRPK1 in complex with MSC2711186
To Be Published
6EHB
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BU of 6ehb by Molmil
OmpU, an outer membrane protein, of Vibrio cholerae
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein U
著者van den berg, B, Pathania, M.
登録日2017-09-13
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae.
Structure, 26, 2018
6S2H
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BU of 6s2h by Molmil
Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And Catechol
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-06-20
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
5AND
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BU of 5and by Molmil
Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology
分子名称: 2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE, CYCLIN-DEPENDENT KINASE 2
著者Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
登録日2015-09-07
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
8CBP
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BU of 8cbp by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Thr-Glu-Pro-Leu
分子名称: Listeriolysin regulatory protein, peptide THR-GLU-PRO-LEU
著者Hainzl, T, Oelker, M, Sauer-Eriksson, A.E.
登録日2023-01-25
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by nutritional peptides
To Be Published
7JY2
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BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
分子名称: Chains: A,B
著者Harp, J.M, Coates, L, Egli, M.
登録日2020-08-28
公開日2021-04-28
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
6BDJ
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BU of 6bdj by Molmil
Crystal structure of dioxygenase Tetur07g02040
分子名称: FE (III) ION, Tetur07g02040
著者Daneshian, L, Schlachter, C.R, Chruszcz, M.
登録日2017-10-23
公開日2018-11-14
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
6AZD
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BU of 6azd by Molmil
Crystal structure of Physcomitrella patens KAI2-like H
分子名称: PpKAI2-like H
著者Burger, M, Lee, H.J, Chory, J.
登録日2017-09-11
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97010744 Å)
主引用文献Structural Basis of Karrikin and Non-natural Strigolactone Perception in Physcomitrella patens.
Cell Rep, 26, 2019
5ANI
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BU of 5ani by Molmil
Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology
分子名称: 6-chloro-9H-purine, CYCLIN-DEPENDENT KINASE 2
著者Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
登録日2015-09-07
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
8DEQ
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BU of 8deq by Molmil
Cryo-EM local refinement of antibody SKV09 in complex with VEEV alphavirus spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKV09 Fab Heavy Chain, SKV09 Fab Light Chain, ...
著者Casner, R.G, Verardi, R, Roederer, M, Shapiro, L.
登録日2022-06-21
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
6ROA
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BU of 6roa by Molmil
Crystal structure of V57G mutant of human cystatin C
分子名称: Cystatin-C
著者Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A.
登録日2019-05-10
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
5ANS
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BU of 5ans by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
分子名称: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
8DER
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BU of 8der by Molmil
Cryo-EM local refinement of antibody SKV16 in complex with VEEV alphavirus spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SKV16 Fab Heavy Chain, ...
著者Casner, R.G, Verardi, R, Roederer, M, Shapiro, L.
登録日2022-06-21
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
6ENX
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BU of 6enx by Molmil
Zebrafish Sirt5 in complex with stalled bicyclic intermediate of inhibitory compound 10
分子名称: 4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid, DIMETHYL SULFOXIDE, NAD-dependent protein deacylase sirtuin-5, ...
著者Pannek, M, Steegborn, C.
登録日2017-10-06
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
5TUD
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BU of 5tud by Molmil
Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody
分子名称: 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ...
著者Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V.
登録日2016-11-05
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RR3
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BU of 6rr3 by Molmil
CRYSTAL STRUCTURE OF FAD-CONTAINING FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase
著者Martinez-Julvez, M, Taleb, V, Medina, M.
登録日2019-05-16
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Towards the competent conformation for catalysis in the ferredoxin-NADP+reductase from the Brucella ovis pathogen.
Biochim Biophys Acta Bioenerg, 1860, 2019
5ANL
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BU of 5anl by Molmil
Crystal structure of VPS34 in complex with (2S)-8-((3R)-3- Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3, 4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one, processed with the CrystalDirect automated mounting and cryo-cooling technology
分子名称: (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3
著者Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
登録日2015-09-07
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5ANE
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BU of 5ane by Molmil
Crystal structure of CDK2 in complex with 6-methoxy-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology
分子名称: 6-METHOXY-9H-PURINE, CYCLIN-DEPENDENT KINASE 2
著者Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
登録日2015-09-07
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
6IO0
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BU of 6io0 by Molmil
Human IDH1 R132C mutant complexed with compound A.
分子名称: (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ...
著者Suzuki, M, Baba, D, Hanzawa, H.
登録日2018-10-29
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
5TZ0
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BU of 5tz0 by Molmil
Structure of the Fremyella diplosiphon Fluorescence Recovery Protein
分子名称: Fluorescence Recovery Protein
著者Sutter, M, Pawlowski, E.G, Kerfeld, C.A.
登録日2016-11-21
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.025 Å)
主引用文献Additional families of orange carotenoid proteins in the photoprotective system of cyanobacteria.
Nat Plants, 3, 2017
6EQS
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BU of 6eqs by Molmil
Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29
分子名称: 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ...
著者Pannek, M, Steegborn, C.
登録日2017-10-15
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
2PJ1
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BU of 2pj1 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-Aminomethyl-phenyl)-[((R)-1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyloxy]-acetic acid COMPLEX
分子名称: (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
7JSR
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BU of 7jsr by Molmil
Crystal structure of the large glutamate dehydrogenase composed of 180 kDa subunits from Mycobacterium smegmatis
分子名称: NAD-specific glutamate dehydrogenase
著者Lazaro, M, Melero, R, Huet, C, Lopez-Alonso, J.P, Delgado, S, Dodu, A, Bruch, E.M, Abriata, L.A, Alzari, P.M, Valle, M, Lisa, M.N.
登録日2020-08-15
公開日2021-06-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (6.27 Å)
主引用文献3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme.
Commun Biol, 4, 2021
8FT8
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BU of 8ft8 by Molmil
The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Thr-Val linker variant, SUMO tag-free preparation
分子名称: CHLORIDE ION, GLYCEROL, POTASSIUM ION, ...
著者Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D.
登録日2023-01-11
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023

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