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1U32
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BU of 1u32 by Molmil
Crystal structure of a Protein Phosphatase-1: Calcineurin Hybrid Bound to Okadaic Acid
分子名称: BETA-MERCAPTOETHANOL, MANGANESE (II) ION, OKADAIC ACID, ...
著者Maynes, J.T, Perreault, K.R, Cherney, M.M, Luu, H.A, James, M.N.G, Holmes, C.F.B.
登録日2004-07-20
公開日2004-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Mutagenesis of a Protein Phosphatase-1:Calcineurin Hybrid Elucidate the Role of the {beta}12-{beta}13 Loop in Inhibitor Binding
J.Biol.Chem., 279, 2004
8XN6
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BU of 8xn6 by Molmil
The Crystal Structure of GSK3b from Biortus.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glycogen synthase kinase-3 beta, ...
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B.
登録日2023-12-29
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structure of GSK3b from Biortus.
To Be Published
6W2I
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Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A
分子名称: GLYCEROL, UV excision repair protein RAD23 homolog A
著者Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C.
登録日2020-03-05
公開日2021-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
4XTC
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BU of 4xtc by Molmil
Crystal structure of bacterial alginate ABC transporter in complex with alginate pentasaccharide-bound periplasmic protein
分子名称: AlgM1, AlgM2, AlgQ2, ...
著者Kaneko, A, Maruyama, Y, Mizuno, N, Baba, S, Kumasaka, T, Mikami, B, Murata, K, Hashimoto, W.
登録日2015-01-23
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A solute-binding protein in the closed conformation induces ATP hydrolysis in a bacterial ATP-binding cassette transporter involved in the import of alginate.
J.Biol.Chem., 292, 2017
4J8S
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BU of 4j8s by Molmil
Crystal structure of human CNOT1 MIF4G domain in complex with a TTP peptide
分子名称: CCR4-NOT transcription complex subunit 1, Tristetraprolin
著者Frank, F, Fabian, M.R, Rouya, C, Siddiqui, N, Lai, W.S, Karetnikov, A, Blackshear, P.J, Sonenberg, N, Nagar, B.
登録日2013-02-14
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the recruitment of the human CCR4-NOT deadenylase complex by tristetraprolin.
Nat.Struct.Mol.Biol., 20, 2013
4J62
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BU of 4j62 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclohexanol: One of twelve in MSCS set
分子名称: CYCLOHEXANOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
7CZB
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BU of 7czb by Molmil
The cryo-EM structure of the ERAD retrotranslocation channel formed by human Derlin-1
分子名称: Derlin-1
著者Rao, B, Li, S, Yao, D, Wang, Q, Xia, Y, Jia, Y, Shen, Y, Cao, Y.
登録日2020-09-07
公開日2021-03-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The cryo-EM structure of an ERAD protein channel formed by tetrameric human Derlin-1.
Sci Adv, 7, 2021
1U4S
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BU of 1u4s by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 2,6-naphthalenedisulphonic acid
分子名称: L-lactate dehydrogenase, NAPHTHALENE-2,6-DISULFONIC ACID
著者Conners, R, Cameron, A, Read, J, Schambach, F, Sessions, R.B, Brady, R.L.
登録日2004-07-26
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Mol.Biochem.Parasitol., 142, 2005
1U5V
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BU of 1u5v by Molmil
Structure of CitE complexed with triphosphate group of ATP form Mycobacterium tuberculosis
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, citE
著者Goulding, C.W, Lerkin, T, Kim, C.Y, Segelke, B, Terwilliger, T, Eisenberg, E, TB Structural Genomics Consortium (TBSGC)
登録日2004-07-28
公開日2004-10-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis citrate lyase beta subunit and its unusual triphosphate binding site
To be Published
8DIH
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BU of 8dih by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DFR
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BU of 8dfr by Molmil
REFINED CRYSTAL STRUCTURES OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE. 3 ANGSTROMS APO-ENZYME AND 1.7 ANGSTROMS NADPH HOLO-ENZYME COMPLEX
分子名称: CALCIUM ION, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Matthews, D.A, Oatley, S.J, Burridge, J, Kaufman, B.T, Xuong, N.-H, Kraut, J.
登録日1989-05-30
公開日1989-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Refined Crystal Structures of Chicken Liver Dihydrofolate Reductase. 3 Angstroms Apo-Enzyme and 1.7 Angstroms Nadph Holo-Enzyme Complex
To be Published
8DII
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BU of 8dii by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide, 3C-like proteinase nsp5
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
3CTF
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BU of 3ctf by Molmil
Crystal structure of oxidized GRX2
分子名称: Glutaredoxin-2
著者Yu, J, Teng, Y.B, Zhou, C.Z.
登録日2008-04-14
公開日2008-11-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the different activities of yeast Grx1 and Grx2.
Biochim.Biophys.Acta, 1804, 2010
3CWI
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BU of 3cwi by Molmil
Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens. Northeast Structural Genomics Consortium Target GmR137
分子名称: Thiamine-biosynthesis protein ThiS
著者Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Janjua, H, Xiao, R, Maglaqui, M, Ciccosanti, C, Foote, E.L, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2008-04-21
公開日2008-05-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens.
To be Published
6VMH
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BU of 6vmh by Molmil
Crystal structure of transcriptional regulator from bacteriophage 186
分子名称: Regulatory protein CII
著者Truong, J.Q, Panjikar, S, Bruning, J.B, Shearwin, K.E.
登録日2020-01-27
公開日2021-06-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of a transcriptional regulator from bacteriophage 186
To Be Published
1U6H
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BU of 1u6h by Molmil
Vinculin head (0-258) in complex with the talin vinculin binding site 2 (849-879)
分子名称: Talin, Vinculin
著者Fillingham, I, Gingras, A.R, Papagrigoriou, E, Patel, B, Emsley, J, Roberts, G.C.K, Critchley, D.R, Barsukov, I.L.
登録日2004-07-30
公開日2005-01-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献A vinculin binding domain from the talin rod unfolds to form a complex with the vinculin head.
Structure, 13, 2005
5NCM
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BU of 5ncm by Molmil
Crystal structure Cbk1(NTR)-Mob2 complex
分子名称: CBK1 kinase activator protein MOB2, Serine/threonine-protein kinase CBK1, ZINC ION
著者Gogl, G, Remenyi, A, Parker, B, Weiss, E.
登録日2017-03-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020
3D25
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BU of 3d25 by Molmil
Crystal structure of HA-1 minor histocompatibility antigen bound to human class I MHC HLA-A2
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Nicholls, S, Piper, K.P, Mohammed, F, Dafforn, T.R, Tenzer, S, Salim, M, Mahendra, P, Craddock, C, van Endert, P, Schild, H, Cobbold, M, Engelhard, V.H, Moss, P.A.H, Willcox, B.E.
登録日2008-05-07
公開日2009-02-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Secondary anchor polymorphism in the HA-1 minor histocompatibility antigen critically affects MHC stability and TCR recognition
Proc.Natl.Acad.Sci.USA, 106, 2009
5I7Z
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BU of 5i7z by Molmil
Crystal structure of a Par-6 PDZ-Crumbs 3 C-terminal peptide complex
分子名称: Crb-3, DI(HYDROXYETHYL)ETHER, LD29223p
著者Whitney, D.S, Peterson, F.C, Prehoda, K.E, Volkman, B.F.
登録日2016-02-18
公開日2016-03-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Binding of Crumbs to the Par-6 CRIB-PDZ Module Is Regulated by Cdc42.
Biochemistry, 55, 2016
3D39
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BU of 3d39 by Molmil
The complex between TCR A6 and human Class I MHC HLA-A2 with the modified HTLV-1 TAX (Y5(4-fluoroPhenylalanine)) peptide
分子名称: A6 TCR alpha chain, A6 TCR beta chain, Beta-2-microglobulin, ...
著者Borbulevych, O.Y, Clemens, J.R, Baker, B.M.
登録日2008-05-09
公開日2009-06-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Fluorine substitutions in an antigenic peptide selectively modulate T-cell receptor binding in a minimally perturbing manner
Biochem.J., 423, 2009
6RWI
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BU of 6rwi by Molmil
Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
1UAB
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BU of 1uab by Molmil
NMR structure of hemimethylated GATC site
分子名称: DNA (5'-D(*CP*GP*CP*AP*GP*(6MA)P*TP*CP*TP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*TP*CP*TP*GP*CP*G)-3')
著者Bae, S.-H, Cheong, H.-K, Kang, S, Hwang, D.S, Cheong, C, Choi, B.-S.
登録日2003-03-07
公開日2004-04-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition
J.Biol.Chem., 278, 2003
3D3U
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BU of 3d3u by Molmil
Crystal structure of 4-hydroxybutyrate CoA-transferase (abfT-2) from Porphyromonas gingivalis. Northeast Structural Genomics Consortium target PgR26
分子名称: 4-hydroxybutyrate CoA-transferase
著者Forouhar, F, Neely, H, Zhang, X.-Z, Price II, W.N, Hussain, M, Seetharaman, J, Xiao, R, Conover, K, Cunningham, K, Ma, L.-C, Ho, C.K, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-05-12
公開日2008-07-15
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of 4-hydroxybutyrate CoA-transferase (abfT-2) from Porphyromonas gingivalis.
To be Published
6Z1Y
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BU of 6z1y by Molmil
Crystal structure of type-I ribosome-inactivating protein trichobakin (TBK)
分子名称: SODIUM ION, Trichobakin
著者Boyko, K.M, Nikolaeva, A.Y, Britikov, V.V, Bocharov, E.V, Britikova, E.V, Le, T.B.T, Phan, C.V, Popov, V.O, Usanov, S.A.
登録日2020-05-14
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of type-I ribosome-inactivating protein trichobakin (TBK)
To Be Published
1TZS
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BU of 1tzs by Molmil
Crystal Structure of an activation intermediate of Cathepsin E
分子名称: 23-mer peptide from PelB-IgG kappa light chain fusion protein, Cathepsin E, activation peptide from Cathepsin E
著者Ostermann, N, Gerhartz, B, Worpenberg, S, Trappe, J, Eder, J.
登録日2004-07-12
公開日2005-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of an activation intermediate of cathepsin e
J.Mol.Biol., 342, 2004

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