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2V31
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Structure of First Catalytic Cysteine Half-domain of mouse ubiquitin- activating enzyme
分子名称: UBIQUITIN-ACTIVATING ENZYME E1 X
著者Jaremko, L, Jaremko, M, Wojciechowski, W, Filipek, R, Szczepanowski, R.H, Bochtler, M, Zhukov, I.
登録日2007-06-11
公開日2008-06-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of First Catalytic Cysteine Half-Domain of Mouse Ubiquitin-Activating Enzyme
To be Published
1BS9
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BU of 1bs9 by Molmil
ACETYLXYLAN ESTERASE FROM P. PURPUROGENUM REFINED AT 1.10 ANGSTROMS
分子名称: ACETYL XYLAN ESTERASE, SULFATE ION
著者Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J.
登録日1998-09-01
公開日1999-05-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase.
Acta Crystallogr.,Sect.D, 55, 1999
1U9Q
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Crystal structure of cruzain bound to an alpha-ketoester
分子名称: [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain
著者Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S.
登録日2004-08-10
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
8JA1
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BU of 8ja1 by Molmil
ASFV Topoisomerase ATPase domain in complex with AMP-PNP and Mg2+ (oxidized form)
分子名称: DNA topoisomerase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chang, C.-W, Pang, A.H, Tsai, M.-D.
登録日2023-05-05
公開日2024-02-07
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A unified view on enzyme catalysis by cryo-EM study of a DNA topoisomerase.
Commun Chem, 7, 2024
1S5I
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BU of 1s5i by Molmil
Fab (LNKB-2) of monoclonal antibody to Human Interleukin-2, crystal structure
分子名称: Fab-fragment of monoclonal antibody
著者Pletnev, V.Z, Goryacheva, E.A, Tsygannik, I.N, Nesmeyanov, V.A, Pletnev, S.V, Pangborn, W, Duax, W.
登録日2004-01-21
公開日2004-05-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献[A new crystal form of the Fab fragment of a monoclonal antibody to human interleukin-2: the three-dimensional structure at 2.7 A resolution].
Bioorg. Khim., 30
4Y25
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BU of 4y25 by Molmil
Bacterial polysaccharide outer membrane secretin
分子名称: Poly-beta-1,6-N-acetyl-D-glucosamine export protein
著者Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y.
登録日2015-02-09
公開日2016-03-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane
J.Biol.Chem., 291, 2016
3A9Z
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BU of 3a9z by Molmil
Crystal structure of ras selenocysteine lyase in complex with selenopropionate
分子名称: 3-selanylpropanoic acid, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Omi, R, Hirotsu, K.
登録日2009-11-09
公開日2010-03-16
最終更新日2013-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Reaction mechanism and molecular basis for selenium/sulfur discrimination of selenocysteine lyase.
J.Biol.Chem., 285, 2010
4YU1
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BU of 4yu1 by Molmil
Human Aldose Reductase complexed with Schl12134 (3-[5-(3-nitrophenyl)-2-thienyl]propanoic acid) at 1.02 A
分子名称: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-18
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To Be Published
8J7C
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BU of 8j7c by Molmil
Crystal structure of triosephosphate isomerase from Leishmania orientalis at 1.88A with an arsenic ion bound at Cys57
分子名称: ARSENIC, Triosephosphate isomerase
著者Kuaprasert, B, Attarataya, J, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Choowongkomon, K, Leartsakulpanich, U.
登録日2023-04-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Leishmania orientalis triosephosphate isomerase crystal structure at 1.45 angstroms resolution and its potential specific inhibitors
To be published
2WDS
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BU of 2wds by Molmil
Crystal structure of the Streptomyces coelicolor H110A AcpS mutant in complex with cofactor CoA at 1.3 A
分子名称: COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION
著者Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T.
登録日2009-03-26
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
6F4C
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BU of 6f4c by Molmil
Nicotiana benthamiana alpha-galactosidase
分子名称: alpha-galactosidase
著者Kytidou, K, Aerts, J.M.F.G, Pannu, N.S.
登録日2017-11-29
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nicotiana benthamianaalpha-galactosidase A1.1 can functionally complement human alpha-galactosidase A deficiency associated with Fabry disease.
J. Biol. Chem., 293, 2018
2X53
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BU of 2x53 by Molmil
Structure of the phage p2 baseplate in its activated conformation with Sr
分子名称: ORF15, ORF16, PUTATIVE RECEPTOR BINDING PROTEIN, ...
著者Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
登録日2010-02-05
公開日2010-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
5N9S
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BU of 5n9s by Molmil
TTK kinase domain in complex with BAY 1161909
分子名称: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, Dual specificity protein kinase TTK
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5YKH
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BU of 5ykh by Molmil
Crystal structure of the engineered nine-repeat PUF domain
分子名称: PHOSPHATE ION, Pumilio homolog 1
著者Zhao, Y.Y, Wang, J, Li, H.T, Wang, Z.X, Wu, J.W.
登録日2017-10-14
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.457 Å)
主引用文献Expanding RNA binding specificity and affinity of engineered PUF domains.
Nucleic Acids Res., 46, 2018
6K3Z
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BU of 6k3z by Molmil
Crystal structure of dCas9 in complex with sgRNA and DNA (TGA PAM)
分子名称: CRISPR-associated endonuclease Cas9, DNA (28-MER), DNA (5'-D(*AP*AP*AP*TP*GP*AP*TP*AP*TP*TP*G)-3'), ...
著者Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
登録日2019-05-22
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
6K4P
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BU of 6k4p by Molmil
Crystal structure of xCas9 in complex with sgRNA and DNA (TGG PAM)
分子名称: CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), PHOSPHATE ION, ...
著者Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
登録日2019-05-25
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
1BOZ
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BU of 1boz by Molmil
STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS
分子名称: N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE)
著者Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W.
登録日1998-08-06
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents.
J.Med.Chem., 41, 1998
6K4U
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BU of 6k4u by Molmil
Crystal structure of xCas9 in complex with sgRNA and DNA (TGA PAM)
分子名称: CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ...
著者Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
登録日2019-05-27
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
6IW0
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BU of 6iw0 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in postfusion state
分子名称: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW1
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BU of 6iw1 by Molmil
Crystal structure of YFV-17D sE in postfusion state
分子名称: Envelope protein E
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
3B3X
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BU of 3b3x by Molmil
Crystal structure of class A beta-lactamase of Bacillus licheniformis BS3 with aminocitrate
分子名称: 2-(carboxymethyl)-D-aspartic acid, Beta-lactamase
著者Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2007-10-23
公開日2007-11-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Aminopropane-1,2,3-tricarboxylic acid: Synthesis and co-crystallization with the class A beta-lactamase BS3 of Bacillus licheniformis
Bioorg.Med.Chem.Lett., 18, 2008
4N9M
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BU of 4n9m by Molmil
Joint neutron/x-ray structure of urate oxidase in complex with 8-hydroxyxanthine
分子名称: 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, SODIUM ION, ...
著者Oksanen, E, Blakeley, M.P, Budayova-Spano, M.
登録日2013-10-21
公開日2014-02-05
最終更新日2018-06-13
実験手法NEUTRON DIFFRACTION (2.023 Å), X-RAY DIFFRACTION
主引用文献The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
6HBN
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HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
分子名称: 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M.
登録日2018-08-10
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HHF
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Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib
分子名称: Borussertib, RAC-alpha serine/threonine-protein kinase
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
7BX2
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BU of 7bx2 by Molmil
The solution NMR structure of VV14 peptide in the presence of Deuterated SDS micelle.
分子名称: VAL-LYS-TRP-VAL-LYS-LYS-VAL-VAL-LYS-TRP-VAL-LYS-LYS-VAL
著者Bhunia, A, Mohid, S.A, Chowdhury, N.
登録日2020-04-16
公開日2021-04-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Effect of Secondary Structure and Side Chain Length of Hydrophobic Amino Acid Residues on the Antimicrobial Activity and Toxicity of 14-Residue-Long de novo AMPs.
Chemmedchem, 16, 2021

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