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9HY5
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BU of 9hy5 by Molmil
sc-4E (scFv derived from the mAb 4E1 against CD93) crystallized at pH 9.0
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ...
著者Raucci, L, Orlandini, M, Pozzi, C.
登録日2025-01-09
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and antigen-binding surface definition of an anti-CD93 monoclonal antibody for the treatment of degenerative vascular eye diseases.
Int.J.Biol.Macromol., 309, 2025
5LPB
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BU of 5lpb by Molmil
Crystal structure of the BRI1 kinase domain (865-1160) in complex with ADP from Arabidopsis thaliana
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein BRASSINOSTEROID INSENSITIVE 1
著者Bojar, D, Martinez, J, Hothorn, M.
登録日2016-08-12
公開日2016-08-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structures of the phosphorylated BRI1 kinase domain and implications for brassinosteroid signal initiation.
Plant J., 78, 2014
5Z0D
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BU of 5z0d by Molmil
1.16 A-resolution crystal structure of the deoxy-form tyrosinase from Streptomyces castaneoglobisporus in complex with the caddie protein
分子名称: COPPER (II) ION, MelC, NITRATE ION, ...
著者Matoba, Y, Sugiyama, M.
登録日2017-12-19
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Catalytic mechanism of tyrosinase implied from the quinone formation on the Tyr98 residue of the caddie protein
To Be Published
6MM5
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BU of 6mm5 by Molmil
Catalytic subunit of cAMP-dependent protein kinase A in complex with RyR2 peptide (2799-2810)
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者van Petegem, F, Haji-Ghassemi, O.
登録日2018-09-29
公開日2019-05-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献cAMP-dependent protein kinase A in complex with RyR2 peptide (2799-2810)
Mol.Cell, 2019
5INL
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BU of 5inl by Molmil
Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mg2+ complex with deoxyadenosine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DNA (5'-D(P*AP*CP*GP*AP*AP*TP*TP*CP*G)-3'), ...
著者Schellenberg, M.J, Vilas, C.K, Williams, R.S.
登録日2016-03-07
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
5LQU
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BU of 5lqu by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
著者Ehler, A, Lerner, C, Ellermann, M, Rudolph, M.G.
登録日2016-08-17
公開日2016-10-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
To be published
5IEI
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BU of 5iei by Molmil
X-ray crystallographic structure of a high affinity IGF2 antagonist (Domain11 AB5 RHH) based on human IGF2R domain 11
分子名称: 1,2-ETHANEDIOL, Cation-independent mannose-6-phosphate receptor, GLYCEROL, ...
著者Nicholls, R.D, Williams, C, Strickland, M, Frago, S, Hassan, A.B, Crump, M.P.
登録日2016-02-25
公開日2016-05-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ITP
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BU of 5itp by Molmil
Structure of the periplasmic binding protein NocT from A.tumefaciens in complex with octopine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein, ...
著者Vigouroux, A, Morera, S.
登録日2016-03-17
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
5ZAN
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BU of 5zan by Molmil
Crystal Structure of Aurora-A in complex with a new Quinazoline inhibitor
分子名称: 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine, Aurora kinase A
著者Cheng, B, Lu, G, Zhou, H.
登録日2018-02-07
公開日2019-02-13
最終更新日2025-09-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Optimization of Novel Quinazolines as Potent Aurora Kinase Inhibitors for Triple-Negative Breast Cancer Treatment.
J.Med.Chem., 68, 2025
5IMH
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BU of 5imh by Molmil
D31P mutant of C69-family cysteine dipeptidase from Lactobacillus farciminis
分子名称: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
著者Kono, R, Watanabe, K.
登録日2016-03-06
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.471 Å)
主引用文献A C69-family cysteine dipeptidase from Lactobacillus farciminis; substrate recognition mechanism and autoproteolytic mechanism in enzyme maturation
To Be Published
172L
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BU of 172l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, T4 LYSOZYME
著者Weaver, L.H, Zhang, X.-J, Matthews, B.W.
登録日1995-03-24
公開日1995-07-10
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
5F1H
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BU of 5f1h by Molmil
Crystal structure of the BRD9 bromodamian in complex with BI-9564.
分子名称: 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 9
著者Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
登録日2015-11-30
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
6A8K
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BU of 6a8k by Molmil
Crystal structure of Ice-binding Protein from a Sea-Ice Microalga
分子名称: GLYCEROL, Ice binding protein 1
著者Kondo, H, Bayer-Giraldi, M.
登録日2018-07-09
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Multiple binding modes of a moderate ice-binding protein from a polar microalga
Phys Chem Chem Phys, 20, 2018
6G8R
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BU of 6g8r by Molmil
SP140 PHD-Bromodomain complex with scFv
分子名称: 1,2-ETHANEDIOL, Nuclear body protein SP140, ZINC ION, ...
著者Fairhead, M, Graslund, S, Strain-Damerell, C, Picaud, S.S, Pike, A.C.W, Pinkas, D.M, Wigren, E, Preger, C, Persson Lotsholm, H, Ossipova, E, Filippakopoulos, P, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
登録日2018-04-09
公開日2018-04-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献SP140 PHD-Bromodomain complex with scFv
To Be Published
7W58
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BU of 7w58 by Molmil
Crystal structure of acyl-carrier protein synthase from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, 4'-phosphopantetheinyl transferase, NICKEL (II) ION
著者Yadav, S, Bhatia, I, Biswal, B.K.
登録日2021-11-29
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Identification, structure determination and analysis of Mycobacterium smegmatis acyl-carrier protein synthase (AcpS) crystallized serendipitously.
Acta Crystallogr.,Sect.F, 78, 2022
1NLC
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BU of 1nlc by Molmil
HIV-1 DIS(Mal) duplex Zn-soaked
分子名称: HIV-1 DIS(MAL) genomic RNA, ZINC ION
著者Ennifar, E, Walter, P, Dumas, P.
登録日2003-01-07
公開日2003-05-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A crystallographic study of the binding of 13 metal ions to two related RNA duplexes.
Nucleic Acids Res., 31, 2003
6MSA
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BU of 6msa by Molmil
Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors
分子名称: 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ...
著者Jakob, C.G.
登録日2018-10-16
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
6RWQ
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BU of 6rwq by Molmil
Engineered beta-lactoglobulin: variant F105L in complex with myristic acid
分子名称: 1,2-ETHANEDIOL, Beta-lactoglobulin, MYRISTIC ACID
著者Loch, J.I, Gotkowski, M, Lewinski, K.
登録日2019-06-05
公開日2019-06-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
5ZIK
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BU of 5zik by Molmil
Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa
分子名称: GLYCEROL, Probable 2-dehydropantoate 2-reductase, SULFATE ION
著者Khanppnavar, B, Datta, S.
登録日2018-03-16
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Genome-wide survey and crystallographic analysis suggests a role for both horizontal gene transfer and duplication in pantothenate biosynthesis pathways.
Biochim Biophys Acta Gen Subj, 1863, 2019
5FD5
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BU of 5fd5 by Molmil
manganese uptake regulator
分子名称: 1,2-ETHANEDIOL, Ferric uptake regulation protein, SULFATE ION
著者Bellini, D, Lebedev, A, Keegan, R, Walsh, M.A.
登録日2015-12-15
公開日2016-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure of an apo metal-free manganese uptake regulator, mur
To Be Published
6CMJ
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BU of 6cmj by Molmil
Human CAMKK2 with GSK650393
分子名称: 1,2-ETHANEDIOL, 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, ...
著者Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H.
登録日2018-03-05
公開日2018-04-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.
Bioorg. Med. Chem. Lett., 28, 2018
6CC7
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BU of 6cc7 by Molmil
Structure of Fungal GH62 from Thielavia terretris
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glycoside hydrolase family 62 protein, ...
著者Camargo, S, Mulinari, E.J, Almeida, L.R, Muniz, J.R.C.
登録日2018-02-06
公開日2019-02-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of Fungal GH62 from Thielavia terretris
To Be Published
6N3N
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BU of 6n3n by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
7L7A
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BU of 7l7a by Molmil
Solution Structure of NuxVA
分子名称: NuxVA
著者Mari, F, Dovell, S.
登録日2020-12-28
公開日2021-01-13
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Conus venom fractions inhibit the adhesion of Plasmodium falciparum erythrocyte membrane protein 1 domains to the host vascular receptors.
J Proteomics, 234, 2020
7ZB0
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BU of 7zb0 by Molmil
macrocyclase OphP with 15mer
分子名称: 1,2-ETHANEDIOL, 15mer, BICARBONATE ION, ...
著者Song, H, Naismith, J.H.
登録日2022-03-23
公開日2022-07-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022

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件を2025-11-26に公開中

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