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1ZSH
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BU of 1zsh by Molmil
Crystal structure of bovine arrestin-2 in complex with inositol hexakisphosphate (IP6)
分子名称: Beta-arrestin 1, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION
著者Milano, S.K, Kim, Y.M, Stefano, F.P, Benovic, J.L, Brenner, C.
登録日2005-05-24
公開日2006-01-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Nonvisual arrestin oligomerization and cellular localization are regulated by inositol hexakisphosphate binding
J.Biol.Chem., 281, 2006
2P55
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BU of 2p55 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A.G.
登録日2007-03-14
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.
J.Med.Chem., 50, 2007
7SKM
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BU of 7skm by Molmil
Complex between S. aureus aureolysin and wt IMPI.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-01-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
6D5J
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BU of 6d5j by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
3EQD
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BU of 3eqd by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P
分子名称: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
4NMS
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BU of 4nms by Molmil
CFTR Associated Ligand (CAL)PDZ domain bound to peptide iCAL36(FLB-K-1) (ANSRWPTS[4-fluorobenzoic-acyl-K]I)
分子名称: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36(FLB-K-1) peptide
著者Amacher, J.F, Madden, D.R.
登録日2013-11-15
公開日2014-10-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain.
Plos One, 9, 2014
3EHT
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BU of 3eht by Molmil
Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF
分子名称: Corticoliberin, FUSION PROTEIN OF CRFR1 EXTRACELLULAR DOMAIN AND MBP, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Pioszak, A.A, Xu, H.E.
登録日2008-09-14
公開日2008-09-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Molecular Recognition of Corticotropin-releasing Factor by Its G-protein-coupled Receptor CRFR1.
J.Biol.Chem., 283, 2008
1ZW5
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BU of 1zw5 by Molmil
X-ray structure of Farnesyl diphosphate synthase protein
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ZOLEDRONIC ACID, ...
著者Kavanagh, K.L, Guo, K, Wu, X, von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2005-06-03
公開日2005-06-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2P97
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BU of 2p97 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE METAL-DEPENDENT HYDROLASE (AVA_3068) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.65 A RESOLUTION
分子名称: CHLORIDE ION, Hypothetical protein, MAGNESIUM ION
著者Joint Center for Structural Genomics (JCSG)
登録日2007-03-23
公開日2007-04-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of hypothetical protein (YP_323572.1) from Anabaena variabilis ATCC 29413 at 1.65 A resolution
To be published
7SKL
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BU of 7skl by Molmil
Complex between S. aureus aureolysin and IMPI mutant I57I
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, IMPI alpha, ...
著者Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-01-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
1ZZ2
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BU of 1zz2 by Molmil
Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes
分子名称: Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside
著者Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M.
登録日2005-06-13
公開日2005-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
4NEQ
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BU of 4neq by Molmil
The structure of UDP-GlcNAc 2-epimerase from Methanocaldococcus jannaschii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UDP-N-acetylglucosamine 2-epimerase
著者Chen, S.C, Yang, C.S, Huang, C.H, Chen, Y.
登録日2013-10-29
公開日2014-04-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structures of the archaeal UDP-GlcNAc 2-epimerase from Methanocaldococcus jannaschii reveal a conformational change induced by UDP-GlcNAc.
Proteins, 82, 2014
8JD5
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BU of 8jd5 by Molmil
Cryo-EM structure of Gi1-bound mGlu2-mGlu4 heterodimer
分子名称: 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine, ...
著者Wang, X, Wang, M, Xu, T, Feng, Y, Han, S, Zhao, Q, Wu, B.
登録日2023-05-12
公開日2023-06-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Cell Res., 33, 2023
1ZX8
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BU of 1zx8 by Molmil
CRYSTAL STRUCTURE OF an atypical cyclophilin (peptidylprolyl cis-trans isomerase) (TM1367) FROM THERMOTOGA MARITIMA AT 1.90 A RESOLUTION
分子名称: NICKEL (II) ION, PENTAETHYLENE GLYCOL, hypothetical protein TM1367
著者Joint Center for Structural Genomics (JCSG)
登録日2005-06-07
公開日2005-07-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of TM1367 from Thermotoga maritima at 1.90 A resolution reveals an atypical member of the cyclophilin (peptidylprolyl isomerase) fold.
Proteins, 63, 2006
8PKC
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BU of 8pkc by Molmil
Structure of Api m1 in complex with the AM1-4 nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM1-4 nanobody, Phospholipase A2
著者Aagaard, J.B, Gandini, R, Spillner, E, Miehe, M.
登録日2023-06-26
公開日2024-05-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Nanobody-based IgG formats as blocking antibodies of the major honeybee venom allergen Api m 1
To be published
3ECG
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BU of 3ecg by Molmil
High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2008-08-29
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
3EDD
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BU of 3edd by Molmil
Structural base for cyclodextrin hydrolysis
分子名称: CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), Cyclomaltodextrinase
著者Buedenbender, S, Schulz, G.E.
登録日2008-09-03
公開日2009-03-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural base for enzymatic cyclodextrin hydrolysis
J.Mol.Biol., 385, 2009
3VSU
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BU of 3vsu by Molmil
The complex structure of XylC with xylobiose
分子名称: Xylosidase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Huang, C.H, Sun, Y, Ko, T.P, Ma, Y, Chen, C.C, Zheng, Y, Chan, H.C, Pang, X, Wiegel, J, Shao, W, Guo, R.T.
登録日2012-05-09
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Biochem.J., 448, 2012
2P1Q
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BU of 2p1q by Molmil
Mechanism of Auxin Perception by the TIR1 ubiquitin ligase
分子名称: 1H-INDOL-3-YLACETIC ACID, Auxin-responsive protein IAA7, INOSITOL HEXAKISPHOSPHATE, ...
著者Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, N.
登録日2007-03-06
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Mechanism of auxin perception by the TIR1 ubiquitin ligase.
Nature, 446, 2007
7S5R
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BU of 7s5r by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibodies CV07-287 and COVA1-16
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ...
著者Yuan, M, Wilson, I.A.
登録日2021-09-11
公開日2022-03-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022
4NO5
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BU of 4no5 by Molmil
Crystal structure of non-phosphorylated form of AMPD2 phosphopeptide bound to HLA-A2
分子名称: 1,2-ETHANEDIOL, AMP deaminase 2, Beta-2-microglobulin, ...
著者Mohammed, F, Stones, D.H, Willcox, B.E.
登録日2013-11-19
公開日2014-12-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献The antigenic identity of human class I MHC phosphopeptides is critically dependent upon phosphorylation status.
Oncotarget, 8, 2017
5G0M
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beta-glucuronidase with an activity-based probe (N-acyl cyclophellitol aziridine) bound
分子名称: (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate, BETA-GLUCURONIDASE, PHOSPHATE ION
著者Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J.
登録日2016-03-21
公開日2017-04-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of a Bacteria Beta-Glucuronidase in Gh79 Family
To be Published
1ZV9
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BU of 1zv9 by Molmil
Crystal structure analysis of a type II cohesin domain from the cellulosome of Acetivibrio cellulolyticus- SeMet derivative
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ACETIC ACID, ...
著者Noach, I, Rosenheck, S, Lamed, R, Shimon, L, Bayer, E, Frolow, F.
登録日2005-06-01
公開日2006-06-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Intermodular linker flexibility revealed from crystal structures of adjacent cellulosomal cohesins of Acetivibrio cellulolyticus.
J.Mol.Biol., 391, 2009
8UTX
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BU of 8utx by Molmil
Solution structure of a 12-mer peptide bearing a bicyclic Asx motif mimic (BAMM) as a synthetic N-cap
分子名称: 1,3,5-tris(bromomethyl)benzene, TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide
著者Mi, T.X, Burgess, K.
登録日2023-10-31
公開日2024-06-05
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Bioinformatics leading to conveniently accessible, helix enforcing, bicyclic ASX motif mimics (BAMMs).
Nat Commun, 15, 2024
5EVK
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BU of 5evk by Molmil
Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.627 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016

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