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4UUU
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1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM
分子名称: 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE
著者Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-07-31
公開日2014-08-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
7O3U
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The crystal structure of obelin from Obelia longissima bound with v-coelenterazine
分子名称: CALCIUM ION, Obelin, v-coelenterazine
著者Larionova, M.D, Wu, L.J, Vysotski, E.S, Liu, Z.-J.
登録日2021-04-03
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of semisynthetic obelin-v.
Protein Sci., 31, 2022
7OEY
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Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution
分子名称: GLYCEROL, SODIUM ION, SUCCINIC ACID, ...
著者Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
登録日2021-05-04
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
7OGQ
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Plant peptide hormone receptor H1I2S1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roman, A.O, Jimenez-Sandoval, P, Santiago, J.
登録日2021-05-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
4W9A
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Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2
分子名称: Gamma-crystallin B
著者Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
登録日2014-08-27
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
7OIN
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BU of 7oin by Molmil
Crystal structure of LSSmScarlet - a genetically encoded red fluorescent protein with a large Stokes shift
分子名称: LSSmScarlet - Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift, SODIUM ION, SULFATE ION
著者Boyko, K.M, Nikolaeva, A.Y, Dorovatovskii, P.V, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Ivashkina, O.I, Popov, V.O, Subach, F.V.
登録日2021-05-12
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献LSSmScarlet, dCyRFP2s, dCyOFP2s and CRISPRed2s, Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift.
Int J Mol Sci, 22, 2021
7NQN
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BU of 7nqn by Molmil
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ...
著者Selvam, I.R.
登録日2021-03-01
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
7ODV
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Plant peptide hormone receptor complex H1LS1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
著者Roman, A.O, Jimenez-Sandoval, P, Santiago, J.
登録日2021-04-30
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
7OGZ
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Plant peptide hormone receptor complex H1L3S1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide hormone IDL3, ...
著者Roman, A.O, Jimenez-Sandoval, P, Santiago, J.
登録日2021-05-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
7OGO
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Plant peptide hormone receptor H1I1S1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roman, A.O, Jimenez-Sandoval, P, Santiago, J.
登録日2021-05-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
7NRZ
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BU of 7nrz by Molmil
Crystal structure of malate dehydrogenase from Trypanosoma cruzi
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sonani, R.R, Kurpiewska, K, Lewinski, K, Dubin, G.
登録日2021-03-04
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Distinct sequence and structural feature of trypanosoma malate dehydrogenase.
Biochem.Biophys.Res.Commun., 557, 2021
7O46
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BU of 7o46 by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17
分子名称: 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5
著者Talibov, V.O.
登録日2021-04-05
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
4W8I
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BU of 4w8i by Molmil
Crystal structure of LpSPL/Lpp2128, Legionella pneumophila sphingosine-1 phosphate lyase
分子名称: Probable sphingosine-1-phosphate lyase
著者Stogios, P.J, Daniels, C, Skarina, T, Cuff, M, Di Leo, R, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-24
公開日2014-11-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Legionella pneumophila S1P-lyase targets host sphingolipid metabolism and restrains autophagy.
Proc.Natl.Acad.Sci.USA, 113, 2016
4W8T
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BU of 4w8t by Molmil
Crystal structure of truncated hemolysin A Q125S from P. mirabilis at 1.5 Angstroms resolution
分子名称: Hemolysin
著者Novak, W.R.P, Glasgow, E, Thompson, J.R, Weaver, T.M.
登録日2014-08-26
公開日2015-10-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Crystal structure of truncated hemolysin A Q125S from P. mirabilis at 1.5 Angstroms resolution
To Be Published
4W8Z
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Crystal structure of Cmr1 from Pyrococcus furiosus (apo form)
分子名称: CRISPR system Cmr subunit Cmr1-1
著者Benda, C, Ebert, J, Baumgaertner, M, Conti, E.
登録日2014-08-26
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
4WA8
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BU of 4wa8 by Molmil
Methanopyrus Kandleri FEN-1 nuclease
分子名称: CHLORIDE ION, Flap endonuclease 1
著者Shah, S, Dunten, P, Horton, N.C.
登録日2014-08-28
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and specificity of FEN-1 from Methanopyrus kandleri.
Proteins, 83, 2015
4WB0
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BU of 4wb0 by Molmil
Crystal structure of the broad specificity aminotransferase from Leishmania mexicana
分子名称: Broad specificity aminotransferase, CACODYLATE ION
著者Wen, J, Nowicki, C, Blankenfeldt, W.
登録日2014-09-02
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis for the relaxed substrate selectivity of Leishmania mexicana broad specificity aminotransferase.
Mol.Biochem.Parasitol., 202, 2015
4WCF
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BU of 4wcf by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 9
分子名称: 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4WDU
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BU of 4wdu by Molmil
17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide
分子名称: 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Amano, Y, Yamaguchi, T.
登録日2014-09-09
公開日2015-04-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
4WE2
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BU of 4we2 by Molmil
Donor strand complemented FaeG of F4ab fimbriae
分子名称: K88 fimbrial protein AB
著者Moonens, K, Van den Broeck, I, De Kerpel, M, Deboeck, F, Raymaekers, H, Remaut, H, De Greve, H.
登録日2014-09-09
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Functional Insight into the Carbohydrate Receptor Binding of F4 Fimbriae-producing Enterotoxigenic Escherichia coli.
J.Biol.Chem., 290, 2015
7NTB
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BU of 7ntb by Molmil
Crystal structure of human carbonic anhydrase with a benzophenone-derivative
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION, ...
著者Di Fiore, A, De Simone, G.
登録日2021-03-09
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interaction Studies between Carbonic Anhydrase and a Sulfonamide Inhibitor by Experimental and Theoretical Approaches
Acs Med.Chem.Lett., 13, 2022
7NUE
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BU of 7nue by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor EML736
分子名称: Protein arginine N-methyltransferase 6, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
著者Bonnefond, L, Cavarelli, J.
登録日2021-03-11
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
1AXR
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BU of 1axr by Molmil
COOPERATIVITY BETWEEN HYDROGEN-BONDING AND CHARGE-DIPOLE INTERACTIONS IN THE INHIBITION OF BETA-GLYCOSIDASES BY AZOLOPYRIDINES: EVIDENCE FROM A STUDY WITH GLYCOGEN PHOSPHORYLASE B
分子名称: 4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM, GLYCOGEN PHOSPHORYLASE, PHOSPHATE ION, ...
著者Oikonomakos, N.G, Heightman, T.D.
登録日1997-10-20
公開日1998-01-28
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cooperative interactions of the catalytic nucleophile and the catalytic acid in the inhibition of beta-glycosidases. Calculations and their validation by comparative kinetic and structural studies of the inhibition of glycogen phosphorylase b.
HELV.CHIM.ACTA, 81, 1998
8DF1
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Chi3l1 bound by antibody C59
分子名称: C59 Fab Heavy chain, C59 Fab Light chain, Chitinase-3-like protein 1, ...
著者Wrapp, D, McLellan, J.S.
登録日2022-06-21
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A novel humanized Chi3l1 blocking antibody attenuates acetaminophen-induced liver injury in mice.
Antib Ther, 6, 2023
4V00
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Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MONOTREME LACTATING PROTEIN
著者Enjapoori, A.K, Newman, J, Polekina, G, Adams, T.E, Sharp, J.A, Peat, T.S, Nicholas, K.R.
登録日2014-09-10
公開日2015-09-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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