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3BRX
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BU of 3brx by Molmil
Crystal Structure of calcium-bound cotton annexin Gh1
分子名称: Annexin, CALCIUM ION, PHOSPHATE ION
著者Hu, N.-J, Hofmann, A.
登録日2007-12-21
公開日2008-05-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of calcium-bound annexin Gh1 from Gossypium hirsutum and its implications for membrane binding mechanisms of plant annexins.
J.Biol.Chem., 283, 2008
5LGU
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BU of 5lgu by Molmil
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34
分子名称: 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Mattevi, A, Ciossani, G.
登録日2016-07-08
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
5FGN
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BU of 5fgn by Molmil
Integral membrane protein lipooligosaccharide phosphoethanolamine transferase A (EptA) from Neisseria meningitidis
分子名称: 2-O-octyl-beta-D-glucopyranose, DODECYL-BETA-D-MALTOSIDE, ZINC ION, ...
著者Anandan, A, Vrielink, A.
登録日2015-12-21
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5FCT
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BU of 5fct by Molmil
Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate.
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase
著者Dowiercial, A, Wilk, P, Jarmula, A, Rode, W.
登録日2015-12-15
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
1UY7
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BU of 1uy7 by Molmil
Human Hsp90-alpha with 9-Butyl-8-(4-methoxy-benzyl)-9H-purin-6-ylamine
分子名称: 9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
登録日2004-03-02
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
3CE0
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BU of 3ce0 by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor PJ34
分子名称: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3
著者Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
登録日2008-02-27
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
6BIM
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BU of 6bim by Molmil
Structure of NlpC1 from Trichomonas vaginalis
分子名称: Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase
著者Pinheiro, J, Simoes-Barbosa, A, Goldstone, D.C.
登録日2017-11-02
公開日2018-11-07
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (1.547 Å)
主引用文献The ProtozoanTrichomonas vaginalisTargets Bacteria with Laterally Acquired NlpC/P60 Peptidoglycan Hydrolases.
Mbio, 9, 2018
5FSB
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BU of 5fsb by Molmil
Structure of tectonin 2 from laccaria bicolor in complex with 2-o-methyl-methyl-seleno-beta-l-fucopyranoside
分子名称: BORIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Sommer, R, Bleuer, S, Titz, A, Kunzler, M, Varrot, A.
登録日2016-01-04
公開日2017-03-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense.
Structure, 26, 2018
5FTK
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BU of 5ftk by Molmil
Cryo-EM structure of human p97 bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
著者Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
登録日2016-01-14
公開日2016-01-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
1UYC
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BU of 1uyc by Molmil
Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine
分子名称: 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E.
登録日2004-03-02
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
5JUM
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BU of 5jum by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dCTP Opposite N-(2'-deoxyguanosin-8- yl)-3-aminobenzanthrone (C8-dG-ABA)
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
著者Patra, A, Politica, D.A, Stone, M.P, Egli, M.
登録日2016-05-10
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanism of Error-Free Bypass of the Environmental Carcinogen N-(2'-Deoxyguanosin-8-yl)-3-aminobenzanthrone Adduct by Human DNA Polymerase eta.
Chembiochem, 17, 2016
5FET
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BU of 5fet by Molmil
Crystal Structure of PVX_084705 in presence of Compound 2
分子名称: 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative
著者Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-12-17
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Crystal Structure of PVX_084705 in presence of Compound 2
To be published
5N74
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BU of 5n74 by Molmil
Microtubule end binding protein complex
分子名称: Karyogamy protein KAR9, Microtubule-associated protein RP/EB family member 1
著者Kumar, A, Steinmetz, M.
登録日2017-02-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Short Linear Sequence Motif LxxPTPh Targets Diverse Proteins to Growing Microtubule Ends.
Structure, 25, 2017
5DVO
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BU of 5dvo by Molmil
Fc K392D/K409D homodimer
分子名称: Ig gamma-1 chain C region, SULFATE ION
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-21
公開日2016-03-30
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
6C2T
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BU of 6c2t by Molmil
Aurora A ligand complex
分子名称: (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ...
著者Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
登録日2018-01-08
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
5J72
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Cwp6 from Clostridium difficile
分子名称: CALCIUM ION, CHLORIDE ION, CITRIC ACID, ...
著者Renko, M, Usenik, A, Turk, D.
登録日2016-04-05
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6.
Structure, 25, 2017
8ARD
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BU of 8ard by Molmil
Myosin VI proximal tail domain, dimeric
分子名称: Unconventional myosin-VI
著者Kikuti, C.M, Sirkia, H, Houdusse, A.
登録日2022-08-16
公開日2023-08-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.219 Å)
主引用文献How myosin VI traps its off-state, is activated and dimerizes.
Nat Commun, 14, 2023
3T5U
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BU of 3t5u by Molmil
Crystal structure of the human carbonic anhydrase II in complex with N-hydroxy benzenesulfonamide
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G.
登録日2011-07-28
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011
6BWE
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BU of 6bwe by Molmil
Sortase A from Corynebacterium diphtheriae, lid mutant
分子名称: Putative fimbrial associated sortase-like protein
著者Osipiuk, J, Chang, C, Huang, I.H, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-12-14
公開日2017-12-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献In vitro reconstitution of sortase-catalyzed pilus polymerization reveals structural elements involved in pilin cross-linking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5JMC
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BU of 5jmc by Molmil
Receptor binding domain of Botulinum neurotoxin A in complex with rat SV2C
分子名称: Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C
著者Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R.
登録日2016-04-28
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
3MU4
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BU of 3mu4 by Molmil
Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. First step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-05-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
6BS4
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Crystal structure of ATPgammaS-bound bacterial Get3-like A and B in Mycobacterium tuberculosis
分子名称: ADENOSINE-5'-DIPHOSPHATE, Anion transporter, MAGNESIUM ION, ...
著者Li, H, Hu, K, Kovach, A.
登録日2017-12-01
公開日2019-05-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis.
J.Bacteriol., 201, 2019
2AWP
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BU of 2awp by Molmil
Crystal structure of Plasmodium knowlesi structure of Iron Super-Oxide Dismutase
分子名称: CHLORIDE ION, Iron Super-Oxide Dismutase, UNKNOWN ATOM OR ION
著者Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2005-09-01
公開日2005-09-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3MU0
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Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. Third step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-05-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
1JW2
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SOLUTION STRUCTURE OF HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha FROM ESCHERICHIA COLI. Ontario Centre for Structural Proteomics target EC0308_1_72; Northeast Structural Genomics Target ET88
分子名称: HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha
著者Chang, X, Yee, A, Savchenko, A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2001-09-02
公開日2002-02-27
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An NMR approach to structural proteomics
Proc.Natl.Acad.Sci.USA, 99, 2002

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