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6VNR
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Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, ...
著者Osko, J.D, Porter, N.J, Christianson, D.W.
登録日2020-01-29
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94301319 Å)
主引用文献Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.
Chemmedchem, 15, 2020
5AC3
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BU of 5ac3 by Molmil
Crystal structure of PAM12A
分子名称: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
著者Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B.
登録日2015-08-11
公開日2016-07-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
8ESU
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BU of 8esu by Molmil
Myoglobin variant Mb-imi complex
分子名称: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bacik, J.P, Fasan, R, Ando, N.
登録日2022-10-14
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
5AE3
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BU of 5ae3 by Molmil
Ether Lipid-Generating Enzyme AGPS in complex with antimycin A
分子名称: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A.
登録日2015-08-25
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
8IBS
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BU of 8ibs by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E160A/E318A mutant in complex with galactose
分子名称: Beta-galactosidase, alpha-D-galactopyranose
著者Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
登録日2023-02-10
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
8F47
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BU of 8f47 by Molmil
Crystal structure of VACV D13 in complex with STK69439
分子名称: 6,8-dimethoxy-2-methylquinolin-4-amine, FORMIC ACID, Scaffold protein D13
著者Subedi, B.P, Garriga, D, Coulibaly, F.
登録日2022-11-10
公開日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of scaffolidng protein D13 of Vaccinia Virus in complex with fragments inhibiting A17 binding.
To Be Published
8ESS
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BU of 8ess by Molmil
Myoglobin variant Mb-cIII complex
分子名称: Myoglobin, SULFATE ION, [2,18-bis(2-carboxyethyl)-7,12-diethenyl-3,8,13,17-tetramethyl-21-(2-oxo-3-phenylpropyl)porphyrin-21-iumato(2-)-kappa~3~N~22~,N~23~,N~24~]iron(2+)
著者Bacik, J.P, Fasan, R, Ando, N.
登録日2022-10-14
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone.
Nat Commun, 14, 2023
5KTH
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BU of 5kth by Molmil
Structure of cow mincle complexed with brartemicin
分子名称: 2,4-dihydroxy-6-methyl Benzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ...
著者Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I.
登録日2016-07-11
公開日2016-08-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
5AIL
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BU of 5ail by Molmil
Human PARP9 2nd macrodomain
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, POLY [ADP-RIBOSE] POLYMERASE 9, ...
著者Sieg, C, Shrestha, L, Talon, R, Sorrell, F, Williams, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
登録日2015-02-15
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Parp9 2Nd Macrodomain
To be Published
5KSY
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BU of 5ksy by Molmil
hMiro1 C-domain GDP Complex P41212 Crystal Form
分子名称: GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-10
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.482 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
8EK5
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BU of 8ek5 by Molmil
Engineered scFv 10LH bound to PHOX2B/HLA-A24:02
分子名称: 10LH single chain fragment variable (scFv), Beta-2-microglobulin, GLYCEROL, ...
著者Garfinkle, S.E, Florio, T.J, Sgourakis, N.G.
登録日2022-09-20
公開日2023-12-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
8I2Q
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BU of 8i2q by Molmil
Beijerinckia indica beta-fructosyltransferase variant H395R/F473Y
分子名称: Beta-fructosyltransferase, GLYCEROL
著者Tonozuka, T.
登録日2023-01-15
公開日2023-06-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization and alteration of product specificity of Beijerinckia indica subsp. indica beta-fructosyltransferase.
Biosci.Biotechnol.Biochem., 87, 2023
8F65
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BU of 8f65 by Molmil
Crystal structure of VACV D13 in complex with BBL030900
分子名称: 8-methoxyquinolin-4-amine, FORMIC ACID, Scaffold protein D13
著者Subedi, B.P, Garriga, D, Coulibaly, F.
登録日2022-11-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of scaffolidng protein D13 of Vaccinia Virus in complex with fragments inhibiting A17 binding.
To Be Published
5KUL
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BU of 5kul by Molmil
Human cyclophilin A at 100K, Data set 1
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
6VU0
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BU of 6vu0 by Molmil
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FROM THE ESCHERICHIA COLI ENZYME
分子名称: PEP-protein phosphotransferase system enzyme I, SULFATE ION
著者Stewart Jr, C.E.
登録日2020-02-14
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Hybrid Thermophilic/Mesophilic Enzymes Reveal a Role for Conformational Disorder in Regulation of Bacterial Enzyme I.
J.Mol.Biol., 432, 2020
8IJ9
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BU of 8ij9 by Molmil
Crystal structure of the ELKS1/Rab6B complex
分子名称: ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Jin, G, Wei, Z.
登録日2023-02-26
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation.
J.Biol.Chem., 299, 2023
5KU8
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BU of 5ku8 by Molmil
Crystal structure of CK2
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Ferguson, A.D, Dowling, J.
登録日2016-07-13
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of CK2
Not Published
5KUS
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BU of 5kus by Molmil
Human cyclophilin A at 100K, Data set 6
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
8IIO
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BU of 8iio by Molmil
H109Q mutant of uracil DNA glycosylase X
分子名称: GLYCEROL, IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase
著者Aroli, S.
登録日2023-02-24
公開日2023-06-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
5KV1
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BU of 5kv1 by Molmil
Human cyclophilin A at 278K, Data set 3
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5AJH
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BU of 5ajh by Molmil
Crystal structure of Fusarium oxysporum cutinase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CUTINASE
著者Dimarogona, M, Nikolaivits, E, Kanelli, M, Christakopoulos, P, Sandgren, M, Topakas, E.
登録日2015-02-24
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Studies of a Fusarium Oxysporum Cutinase with Polyethylene Terephthalate Modification Potential.
Biochim.Biophys.Acta, 1850, 2015
5LBV
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BU of 5lbv by Molmil
Structural basis of zika and dengue virus potent antibody cross-neutralization
分子名称: SODIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, envelope protein E
著者Barba-Spaeth, G.
登録日2016-06-17
公開日2016-07-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
6VJI
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BU of 6vji by Molmil
Structure of mammalian NEIL2 from Monodelphis domestica
分子名称: Nei like DNA glycosylase 2, ZINC ION
著者Eckenroth, B.E, Doublie, S.
登録日2020-01-16
公開日2020-08-12
最終更新日2021-01-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Unique Structural Features of Mammalian NEIL2 DNA Glycosylase Prime Its Activity for Diverse DNA Substrates and Environments.
Structure, 29, 2021
8IGU
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BU of 8igu by Molmil
Hexameric Ring Complex of Engineered V1-ATPase: A3(De)3_empty
分子名称: V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B
著者Kosugi, T, Tanabe, M, Koga, N.
登録日2023-02-21
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
6VJV
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Crystal structure of the Prochlorococcus phage (myovirus P-SSM2) ferredoxin at 1.6 Angstroms
分子名称: ACETATE ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin, ...
著者Olmos Jr, J.L, Campbell, I.J, Miller, M.D, Xu, W, Kahanda, D, Atkinson, J.T, Sparks, N, Bennett, G.N, Silberg, J.J, Phillips Jr, G.N.
登録日2020-01-17
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Prochlorococcusphage ferredoxin: structural characterization and electron transfer to cyanobacterial sulfite reductases.
J.Biol.Chem., 295, 2020

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