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6ARZ
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BU of 6arz by Molmil
Structure of a phage anti-CRISPR protein
分子名称: BROMIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Calmettes, C, Shah, M, Pawluk, A, Davidson, A.R, Maxwell, K.L, Moraes, T.F.
登録日2017-08-23
公開日2018-08-29
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
5XIG
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BU of 5xig by Molmil
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 1
分子名称: 3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Jain, V, Manickam, Y, Sharma, A.
登録日2017-04-26
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
6SBU
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BU of 6sbu by Molmil
X-ray Structure of Human LDHA with an Allosteric Inhibitor (Compound 3)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid, L-lactate dehydrogenase A chain
著者Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H.
登録日2019-07-22
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Acs Omega, 5, 2020
6SGX
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BU of 6sgx by Molmil
Structure of protomer 1 of the ESX-3 core complex
分子名称: ESX-3 secretion system EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ...
著者Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S.
登録日2019-08-05
公開日2019-10-09
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Architecture of the mycobacterial type VII secretion system.
Nature, 576, 2019
2DD6
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BU of 2dd6 by Molmil
Solution structure of Dermaseptin antimicrobial peptide truncated, mutated analog, K4-S4(1-13)a
分子名称: Dermaseptin-4
著者Shalev, D.E, Rotem, S, Fish, A, Mor, A.
登録日2006-01-19
公開日2006-02-28
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13)
J.Biol.Chem., 281, 2006
5XCY
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BU of 5xcy by Molmil
Structure of the cellobiohydrolase Cel6A from Phanerochaete chrysosporium at 1.2 angstrom
分子名称: Glucanase
著者Tachioka, M, Nakamura, A, Ishida, T, Igarashi, K, Samejima, M.
登録日2017-03-24
公開日2017-07-26
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献Crystal structure of a family 6 cellobiohydrolase from the basidiomycete Phanerochaete chrysosporium
Acta Crystallogr F Struct Biol Commun, 73, 2017
1U0D
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BU of 1u0d by Molmil
Y33H Mutant of Homing endonuclease I-CreI
分子名称: 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*CP*GP*C)-3', 5'-D(*GP*CP*GP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', DNA endonuclease I-CreI
著者Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M.
登録日2004-07-13
公開日2004-11-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Isolation and characterization of new homing endonuclease specificities at individual target site positions.
J.Mol.Biol., 342, 2004
4EVH
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BU of 4evh by Molmil
Crystal structure of calcium-bound alpha-1 giardin
分子名称: CALCIUM ION, Giardin subunit alpha-1
著者Weeratunga, S, Hofmann, A.
登録日2012-04-26
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Alpha-1 giardin is an annexin with highly unusual calcium-regulated mechanisms
J.Mol.Biol., 423, 2012
5XVU
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BU of 5xvu by Molmil
Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q.
登録日2017-06-28
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition.
Sci Rep, 8, 2018
8J3N
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BU of 8j3n by Molmil
Solution NMR structure of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from Staphylococcus aureus
分子名称: Phosphoribosylformylglycinamidine synthase subunit PurS
著者Wahab, A, Ashraf, F, Choudhary, M.I.
登録日2023-04-17
公開日2023-05-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from Staphylococcus aureus
To Be Published
8IWI
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BU of 8iwi by Molmil
Cryogenic Temperature Crystal Structure of Escherichia coli CyaY protein at pH 5
分子名称: Iron-sulfur cluster assembly protein CyaY
著者Shafiei, A, DeMirci, H.
登録日2023-03-30
公開日2023-05-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Cryogenic Temperature Crystal Structure of Escherichia coli CyaY protein at pH 5
To Be Published
4Y35
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BU of 4y35 by Molmil
Endothiapepsin in complex with fragment 290
分子名称: 4-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-03-02
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5XPG
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BU of 5xpg by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 6'U7' on the target strand
分子名称: 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*A P*GP*T)-3', 5'-R(*UP*AP*U*AP*CP*AP*AP*CP*CP*UP*AP*CP*AP*UP*AP*CP*CP*UP*CP* G)-3', MAGNESIUM ION, ...
著者Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y.
登録日2017-06-02
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
1S2X
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BU of 1s2x by Molmil
Crystal structure of Cag-Z from Helicobacter pylori
分子名称: Cag-Z, ISOPROPYL ALCOHOL
著者Cendron, L, Seydel, A, Angelini, A, Battistutta, R, Zanotti, G.
登録日2004-01-12
公開日2004-07-27
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of CagZ, a protein from the Helicobacter pylori pathogenicity island that encodes for a type IV secretion system
J.Mol.Biol., 340, 2004
8IVK
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BU of 8ivk by Molmil
Cryogenic temperature crystal structure of Escherichia coli CyaY
分子名称: Iron-sulfur cluster assembly protein CyaY
著者Shafiei, A, DeMirci, H.
登録日2023-03-28
公開日2023-05-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cryogenic temperature crystal structure of Escherichia coli CyaY
To Be Published
1S1N
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BU of 1s1n by Molmil
SH3 domain of human nephrocystin
分子名称: Nephrocystin 1
著者Le Maire, A, Weber, T, Saunier, S, Antignac, C, Ducruix, A, Dardel, F.
登録日2004-01-07
公開日2005-01-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the SH3 domain of human nephrocystin and analysis of a mutation-causing juvenile nephronophthisis.
Proteins, 59, 2005
8IXS
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BU of 8ixs by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
分子名称: (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION
著者Nomura, A, Yamaguchi, K, Adachi, T.
登録日2023-04-03
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
8IVR
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BU of 8ivr by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
分子名称: (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION
著者Nomura, A, Yamaguchi, K, Adachi, T.
登録日2023-03-28
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
8JFS
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BU of 8jfs by Molmil
Phosphate bound acylphosphatase from Deinococcus radiodurans at 1 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, Acylphosphatase, CITRIC ACID, ...
著者Khakerwala, Z, Kumar, A, Makde, R.D.
登録日2023-05-18
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystal structure of phosphate bound Acyl phosphatase mini-enzyme from Deinococcus radiodurans at 1 angstrom resolution.
Biochem.Biophys.Res.Commun., 671, 2023
5XVK
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BU of 5xvk by Molmil
Crystal structure of mouse Nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl Nicotinamide (MNA)
分子名称: 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase, ...
著者Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R.
登録日2017-06-28
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of monkey and mouse nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl nicotinamide
Biochem. Biophys. Res. Commun., 491, 2017
8IVG
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BU of 8ivg by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
分子名称: (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Kelch-like ECH-associated protein 1, ...
著者Otake, K, Ubukata, M, Nagahashi, N, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
登録日2023-03-27
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
5XWE
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BU of 5xwe by Molmil
Structure of a three finger toxin from Ophiophagus hannah venom
分子名称: CHLORIDE ION, GLYCEROL, Weak toxin DE-1 homolog 1, ...
著者Jobichen, C, Roy, A, Kini, R.M, Sivaraman, J.
登録日2017-06-29
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a three finger toxin from Ophiophagus hannah venom
To Be Published
6SBV
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BU of 6sbv by Molmil
X-ray Structure of Human LDH-A with an Allosteric Inhibitor (Compound 7)
分子名称: L-lactate dehydrogenase A chain, ~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
著者Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H.
登録日2019-07-22
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Acs Omega, 5, 2020
5XT2
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BU of 5xt2 by Molmil
Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121
分子名称: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S.
登録日2017-06-16
公開日2018-05-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.652 Å)
主引用文献Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
3W31
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BU of 3w31 by Molmil
Structual basis for the recognition of Ubc13 by the Shigella flexneri effector OspI
分子名称: IODIDE ION, ORF169b, Ubiquitin-conjugating enzyme E2 N
著者Nishide, A, Kim, M, Takagi, K, Sasakawa, C, Mizushima, T.
登録日2012-12-07
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Structural basis for the recognition of Ubc13 by the Shigella flexneri effector OspI.
J.Mol.Biol., 425, 2013

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