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7YL2
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BU of 7yl2 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
分子名称: Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ...
著者Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y.
登録日2022-07-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
7YPP
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Structural basis of a superoxide dismutase from a tardigrade, Ramazzottius varieornatus strain YOKOZUNA-1.
分子名称: CALCIUM ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ...
著者Sim, K.-S, Fukuda, Y, Inoue, T.
登録日2022-08-04
公開日2023-07-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a superoxide dismutase from a tardigrade: Ramazzottius varieornatus strain YOKOZUNA-1.
Acta Crystallogr.,Sect.F, 79, 2023
7Q7I
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JAK2 in complex with 4-{8-methoxy-2-[(1-methyl-1H-pyrazol-4-yl)amino]quinazolin-6-yl}phenol
分子名称: 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol, Tyrosine-protein kinase JAK2
著者Rowland, P.
登録日2021-11-09
公開日2022-02-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
6ZZW
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BU of 6zzw by Molmil
Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) and CAS No 912569-62-1
分子名称: Lectin, SODIUM ION, [3-(2-methylimidazol-1-yl)phenyl]methanamine, ...
著者Lal, K, Bermeo, R, Imberty, A, Varrot, A.
登録日2020-08-05
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*.
Chemistry, 27, 2021
8RSM
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Crystal structure of Streptococcus pyogenes macrodomain in complex with ADP-ribose
分子名称: Protein-ADP-ribose hydrolase, ZINC ION, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Ariza, A.
登録日2024-01-24
公開日2024-09-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Evolutionary and molecular basis of ADP-ribosylation reversal by zinc-dependent macrodomains.
J.Biol.Chem., 300, 2024
6ZMD
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Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP
分子名称: Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ...
著者Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V.
登録日2020-07-02
公開日2021-04-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD.
Nat Commun, 12, 2021
6IVM
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Crystal structure of a membrane protein P143A
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
7YW2
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Crystal structure of tRNA 2'-phosphotransferase from Mus musculus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ...
著者Yang, X.Y, Liu, X.H.
登録日2022-08-21
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
6IV3
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Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation W252A
分子名称: Bestrophin homolog, ZINC ION
著者Kittredge, A, Chen, S, Yang, T.
登録日2018-12-02
公開日2019-11-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.515 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
7A5U
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BU of 7a5u by Molmil
Structure of E37A BlaC from Mycobacterium tuberculosis
分子名称: Beta-lactamase
著者Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
登録日2020-08-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conserved residues Glu37 and Trp229 play an essential role in protein folding of beta-lactamase.
Febs J., 288, 2021
8RSK
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BU of 8rsk by Molmil
Crystal structure of Methanobrevibacter oralis macrodomain in complex with Asn-ADPr
分子名称: (2~{S})-4-[[(2~{S},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]amino]-2-azanyl-4-oxidanylidene-butanoic acid, ACETATE ION, GLYCEROL, ...
著者Ariza, A.
登録日2024-01-24
公開日2024-09-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.359 Å)
主引用文献Evolutionary and molecular basis of ADP-ribosylation reversal by zinc-dependent macrodomains.
J.Biol.Chem., 300, 2024
7YKC
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BU of 7ykc by Molmil
crystal structure of the Phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (ARO3) from Saccharomyces cerevisiae
分子名称: 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase
著者Liu, H, Luo, Y.
登録日2022-07-22
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mechanistic investigation of a D to N mutation in DAHP synthase that dictates carbon flux into the shikimate pathway in yeast.
Commun Chem, 6, 2023
6BLE
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BU of 6ble by Molmil
Crystal Structure of the Human CAMKK2B in complex with CP673451
分子名称: 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine, Calcium/calmodulin-dependent protein kinase kinase 2, GLYCEROL
著者Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-11-10
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Human CAMKK2B in complex with CP673451
To Be Published
7Q6H
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BU of 7q6h by Molmil
HUMAN JAK3 KINASE DOMAIN WITH 1-(4-((2-((1-methyl-1H-pyrazol-4-yl)amino)quinazolin-8-yl)amino)piperidin-1-yl)ethan-1-one
分子名称: 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone, 1-phenylurea, SULFATE ION, ...
著者Chung, C.
登録日2021-11-07
公開日2022-02-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
7AB7
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BU of 7ab7 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T Q148K variant
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ...
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-09-06
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
7ZC9
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BU of 7zc9 by Molmil
Human Pikachurin/EGFLAM C-terminal Laminin-G domain (LG3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pikachurin, SULFATE ION
著者Pantalone, S, Forneris, F.
登録日2022-03-26
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
6IVX
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Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
分子名称: (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
著者Noguchi, M, Nomura, A, Doi, S, Adachi, T.
登録日2018-12-04
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
7ZCB
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BU of 7zcb by Molmil
Human Pikachurin/EGFLAM N-terminal Fibronectin-III (1-2) domains
分子名称: CHLORIDE ION, Pikachurin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Pantalone, S, Savino, S, Viti, L.V, Forneris, F.
登録日2022-03-26
公開日2023-07-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
7LBA
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BU of 7lba by Molmil
E. coli Agmatinase
分子名称: Agmatinase, MANGANESE (II) ION
著者Chitrakar, I, Ahmed, S.F, Torelli, A.T, French, J.B.
登録日2021-01-07
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the E. coli agmatinase, SPEB.
Plos One, 16, 2021
7A1C
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LdtMT2 with covalent adduct derived from N-Thio-beta-lactam 1a
分子名称: DIMETHYL SULFOXIDE, L,D-transpeptidase 2
著者Schnell, R, Steiner, E.M.
登録日2020-08-12
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
7A10
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LppS with covalent adduct derived from 1g
分子名称: 4-methoxycyclohexa-2,5-diene-1-thione, L,D-transpeptidase 2
著者Schnell, R, Steiner, E.M.
登録日2020-08-11
公開日2021-04-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
7QDT
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BU of 7qdt by Molmil
Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations.
分子名称: 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha
著者Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J.
登録日2021-11-30
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha.
Mol.Cell.Biol., 42, 2022
6I1S
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BU of 6i1s by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
分子名称: (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ...
著者Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-10-30
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
6C16
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Ubiquitin variant (UbV.Fbl10.1) bound to a human Skp1-Fbl11 fragment complex.
分子名称: Lysine-specific demethylase 2A, Polyubiquitin-B, S-phase kinase-associated protein 1
著者Manczyk, N, Sicheri, F.
登録日2018-01-04
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
7LR2
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Crystal structure of GH5_18 from Bifidobacterium longum subsp. longum ATCC 55813 in complex with GlcNAc
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl hydrolase BlGH5_18, ...
著者Higgins, M.A, Ryan, K.S.
登録日2021-02-15
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes.
Acs Chem.Biol., 16, 2021

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件を2024-11-06に公開中

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