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6DR0
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Class 5 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
著者Hite, R.K, Paknejad, N.
登録日2018-06-11
公開日2018-08-01
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (4.47 Å)
主引用文献Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
4QHO
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BU of 4qho by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with CCO10
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine, ZINC ION
著者Aik, W.S, Clunie-O'Connor, C, McDonough, M.A, Schofield, C.J.
登録日2014-05-28
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
6VND
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BU of 6vnd by Molmil
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
分子名称: 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-29
公開日2020-11-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
6DU7
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BU of 6du7 by Molmil
Glutathione reductase from Streptococcus pneumoniae
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, THIOCYANATE ION
著者Maher, M.J, Sikanyika, M.
登録日2018-06-19
公開日2019-01-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献The structure and activity of the glutathione reductase from Streptococcus pneumoniae.
Acta Crystallogr F Struct Biol Commun, 75, 2019
7PG5
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BU of 7pg5 by Molmil
Crystal Structure of PI3Kalpha
分子名称: GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
登録日2021-08-13
公開日2022-08-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.20029068 Å)
主引用文献A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
6VON
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BU of 6von by Molmil
Chloroplast ATP synthase (R1, CF1FO)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ...
著者Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
登録日2020-01-30
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
6VOL
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BU of 6vol by Molmil
Chloroplast ATP synthase (R2, CF1FO)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ...
著者Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
登録日2020-01-30
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.06 Å)
主引用文献Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
4K90
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BU of 4k90 by Molmil
Extracellular metalloproteinase from Aspergillus
分子名称: BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ...
著者Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I.
登録日2013-04-19
公開日2013-10-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus.
Acta Crystallogr.,Sect.D, 69, 2013
7SMP
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BU of 7smp by Molmil
CryoEM structure of NKCC1 Bu-I
分子名称: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, POTASSIUM ION, Solute carrier family 12 member 2
著者Moseng, M.A.
登録日2021-10-26
公開日2022-09-28
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
4KAO
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BU of 4kao by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-pyridin-3- yl-phenyl)-urea
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea, Focal adhesion kinase 1, SULFATE ION
著者Musil, D, Graedler, U, Heinrich, T, Lehmann, M, Dresing, V.
登録日2013-04-22
公開日2013-09-11
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Fragment-based discovery of focal adhesion kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6DIH
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BU of 6dih by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound PH004941
分子名称: 1,2-ETHANEDIOL, 4-hydroxybenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-23
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
7PG6
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BU of 7pg6 by Molmil
Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
著者Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
登録日2021-08-13
公開日2022-08-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.49943733 Å)
主引用文献A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
6VVO
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BU of 6vvo by Molmil
Structure of the human clamp loader (Replication Factor C, RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen, PCNA)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Gaubitz, C, Liu, X, Stone, N.P, Kelch, B.A.
登録日2020-02-18
公開日2020-02-26
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the human clamp loader bound to the sliding clamp: a further twist on AAA+ mechanism
Biorxiv, 2020
1ZAL
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BU of 1zal by Molmil
Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with partially disordered tagatose-1,6-bisphosphate, a weak competitive inhibitor
分子名称: Fructose-bisphosphate aldolase A, PHOSPHATE ION
著者St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J.
登録日2005-04-06
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit.
J.Biol.Chem., 280, 2005
4QRI
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BU of 4qri by Molmil
2.35 Angstrom resolution crystal structure of hypoxanthine-guanine-xanthine phosphoribosyltransferase from Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130
分子名称: DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, SULFATE ION
著者Halavaty, A.S, Minasov, G, Dubrovska, I, Flores, K.J, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-07-01
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献2.35 Angstrom resolution crystal structure of hypoxanthine-guanine-xanthine phosphoribosyltransferase from Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130
To be Published
6DZF
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BU of 6dzf by Molmil
Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Juers, D.H.
登録日2018-07-03
公開日2018-09-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6DZP
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BU of 6dzp by Molmil
Cryo-EM Structure of Mycobacterium smegmatis C(minus) 50S ribosomal subunit
分子名称: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
著者Sharma, M.R, Li, Y, Korripella, R, Yang, Y, Kaushal, P.S, Lin, Q, Wade, J.T, Gray, A.G, Derbyshire, K.M, Agrawal, R.K, Ojha, A.
登録日2018-07-05
公開日2018-10-03
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Zinc depletion induces ribosome hibernation in mycobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7JIC
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BU of 7jic by Molmil
Structure of human CD19-CD81 co-receptor complex bound to coltuximab Fab fragment
分子名称: B-lymphocyte antigen CD19, CD81 antigen, Coltuximab Heavy Chain, ...
著者Susa, K.J, Rawson, S, Kruse, A.C, Blacklow, S.C.
登録日2020-07-23
公開日2021-01-20
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of the B cell co-receptor CD19 bound to the tetraspanin CD81
Science, 371, 2021
6DYS
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BU of 6dys by Molmil
C-terminal condensation domain of Ebony in complex with beta-alanyl-dopamine
分子名称: CALCIUM ION, Ebony, N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
著者Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
登録日2018-07-02
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6W1V
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BU of 6w1v by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
登録日2020-03-04
公開日2020-06-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
6DCF
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BU of 6dcf by Molmil
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and bound to kanglemycin A
分子名称: 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ...
著者Lilic, M, Darst, S.A, Campbell, E.A.
登録日2018-05-06
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
6W2P
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BU of 6w2p by Molmil
APE1 endonuclease product complex L104R
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Freudenthal, B.D, Whitaker, A.M.
登録日2020-03-06
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
7JLW
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BU of 7jlw by Molmil
Sheep Connexin-50 at 2.5 angstroms resolution, Lipid Class 1
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-30
公開日2020-09-09
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
6W47
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BU of 6w47 by Molmil
Peptoid-Containing Collagen Peptide
分子名称: 1,2-ETHANEDIOL, Collagen-like peptide
著者Chenoweth, D.M, Melton, S.D.
登録日2020-03-10
公開日2020-08-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Rules for the design of aza-glycine stabilized triple-helical collagen peptides.
Chem Sci, 11, 2020
7SK4
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BU of 7sk4 by Molmil
Cryo-EM structure of ACKR3 in complex with chemokine N-terminal mutant CXCL12_LRHQ, an intracellular Fab, and an extracellular Fab
分子名称: Atypical chemokine receptor 3, CHOLESTEROL, CID24 Fab heavy chain, ...
著者Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G.
登録日2021-10-19
公開日2022-07-27
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022

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