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4AHA
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BU of 4aha by Molmil
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with fucosylated monosaccharides (Fuc1-2Gal, Fuc1- 3GlcNAc, Fuc1-4GlcNAc and Fuc1-6GlcNAc)
分子名称: Fucose-specific lectin, alpha-L-fucopyranose, alpha-L-fucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
登録日2012-02-06
公開日2013-02-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent
Acta Crystallogr.,Sect.D, 71, 2015
8BOH
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BU of 8boh by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8
分子名称: 4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
1FIT
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BU of 1fit by Molmil
FHIT (FRAGILE HISTIDINE TRIAD PROTEIN)
分子名称: FRAGILE HISTIDINE PROTEIN, SULFATE ION, beta-D-fructofuranose
著者Lima, C.D, D'Amico, K.L, Naday, I, Rosenbaum, G, Westbrook, E.M, Hendrickson, W.A.
登録日1997-05-17
公開日1997-11-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MAD analysis of FHIT, a putative human tumor suppressor from the HIT protein family.
Structure, 5, 1997
6Y03
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BU of 6y03 by Molmil
Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
登録日2020-02-06
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
8BOF
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BU of 8bof by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12
分子名称: 4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
3MB9
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BU of 3mb9 by Molmil
Human Aldose Reductase mutant T113A complexed with Zopolrestat
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Koch, C, Heine, A, Klebe, G.
登録日2010-03-25
公開日2011-03-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
7LHE
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BU of 7lhe by Molmil
Structure of full-length IP3R1 channel reconstituted into lipid nanodisc in the apo-state
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Inositol 1,4,5-trisphosphate receptor type 1, ZINC ION
著者Baker, M.R, Fan, G, Baker, M.L, Serysheva, I.I.
登録日2021-01-22
公開日2021-06-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of type 1 IP3R channel in a lipid bilayer
Commun Biol, 4, 2021
3FR5
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BU of 3fr5 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
分子名称: 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
登録日2009-01-08
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
7LHF
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BU of 7lhf by Molmil
Structure of full-length IP3R1 channel solubilized in LNMG & lipid in the apo-state
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Inositol 1,4,5-trisphosphate receptor type 1, ZINC ION
著者Baker, M.R, Fan, G, Baker, M.L, Serysheva, I.I.
登録日2021-01-22
公開日2021-06-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Cryo-EM structure of type 1 IP3R channel in a lipid bilayer
Commun Biol, 4, 2021
3MC5
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BU of 3mc5 by Molmil
Human Aldose Reductase mutant T113V in complex with IDD393 crystallized in spacegroup P1
分子名称: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Koch, C, Heine, A, Klebe, G.
登録日2010-03-27
公開日2011-03-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
3S4R
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BU of 3s4r by Molmil
Crystal structure of vimentin coil1A/1B fragment with a stabilizing mutation
分子名称: GLYCEROL, Vimentin
著者Chernyatina, A.A, Strelkov, S.V.
登録日2011-05-20
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.452 Å)
主引用文献Atomic structure of the vimentin central alpha-helical domain and its implications for intermediate filament assembly.
Proc.Natl.Acad.Sci.USA, 109, 2012
1XQ0
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BU of 1xq0 by Molmil
Structure of human carbonic anhydrase II with 4-[(3-bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole
分子名称: 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE, Carbonic anhydrase II, ZINC ION
著者Lloyd, M.D, Thiyagarajan, N, Ho, Y.T, Woo, L.W.L, Sutcliffe, O.B, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L.
登録日2004-10-11
公開日2005-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,)
Biochemistry, 44, 2005
1XQ8
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BU of 1xq8 by Molmil
Human micelle-bound alpha-synuclein
分子名称: Alpha-synuclein
著者Ulmer, T.S, Bax, A, Cole, N.B, Nussbaum, R.L.
登録日2004-10-11
公開日2005-01-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and dynamics of micelle-bound human alpha-synuclein
J.Biol.Chem., 280, 2005
8B28
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BU of 8b28 by Molmil
Structure of an intron-retention variant of the plant immune signalling protein EDS1 from Vitis vinifera
分子名称: 1,2-ETHANEDIOL, Enhanced disease susceptibility 1
著者Voss, M, Niefind, K.
登録日2022-09-13
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A splicing variant of EDS1 from Vitis vinifera forms homodimers but no heterodimers with PAD4.
Protein Sci., 32, 2023
8BBO
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BU of 8bbo by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.2-36 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IGH@ protein, Immunoglobulin kappa light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2022-10-14
公開日2023-03-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
Cell Rep, 42, 2023
8BNS
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BU of 8bns by Molmil
Crystal structure of Pif1 from Sulfurihydrogenibium sp in complex with ADP
分子名称: AAA ATPase, ADENOSINE-5'-DIPHOSPHATE
著者Rety, S, Chen, W.F, Xi, X.G.
登録日2022-11-14
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
8BBN
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BU of 8bbn by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.2-10 and EY6A Fabs
分子名称: BA.2-10 heavy chain, BA.2-10 light chain, EY6A Heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2022-10-14
公開日2023-03-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
Cell Rep, 42, 2023
3MH4
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BU of 3mh4 by Molmil
HtrA proteases are activated by a conserved mechanism that can be triggered by distinct molecular cues
分子名称: Protease do
著者Krojer, T, Sawa, J, Huber, R, Clausen, T.
登録日2010-04-07
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献HtrA proteases have a conserved activation mechanism that can be triggered by distinct molecular cues
Nat.Struct.Mol.Biol., 17, 2010
1FEA
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BU of 1fea by Molmil
UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.2 ANGSTROM RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE
著者Strickland, C, Karplus, P.
登録日1995-07-12
公開日1997-01-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution
To be Published
1XVQ
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BU of 1xvq by Molmil
Crystal structure of thiol peroxidase from Mycobacterium tuberculosis
分子名称: AMMONIUM ION, YTTRIUM (III) ION, thiol peroxidase
著者Rho, B.S, Pedelacq, J.D, Hung, L.W, Holton, J.M, Vigil, D, Kim, S.I, Park, M.S, Terwilliger, T.C, TB Structural Genomics Consortium (TBSGC)
登録日2004-10-28
公開日2004-12-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Functional and Structural Characterization of a Thiol Peroxidase from Mycobacterium tuberculosis.
J.Mol.Biol., 361, 2006
1FQM
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BU of 1fqm by Molmil
X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT
分子名称: CARBONIC ANHYDRASE, MERCURY (II) ION, ZINC ION
著者Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
登録日2000-09-06
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
3MFV
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BU of 3mfv by Molmil
Crystal structure of human arginase I in complex with 2-aminohomohistidine
分子名称: (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid, Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2010-04-04
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献2-aminoimidazole amino acids as inhibitors of the binuclear manganese metalloenzyme human arginase I.
J.Med.Chem., 53, 2010
1XVW
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Crystal Structure of AhpE from Mycobacterium tuberculosis, a 1-Cys peroxiredoxin
分子名称: Hypothetical protein Rv2238c/MT2298
著者Li, S, Peterson, N.A, Kim, M.Y, Kim, C.Y, Hung, L.W, Yu, M, Lekin, T, Segelke, B.W, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2004-10-28
公開日2005-02-22
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 AhpE from Mycobacterium tuberculosis, a 1-Cys Peroxiredoxin
J.Mol.Biol., 346, 2005
438D
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BU of 438d by Molmil
STRUCTURE OF AN RNA DUPLEX R(GGGCGCUCC)2 WITH NON-ADJACENT G.U BASE PAIRS
分子名称: RNA (5'-R(*GP*GP*GP*CP*GP*CP*UP*CP*C)-3')
著者Shi, K, Wahl, M.C, Sundaralingam, M.
登録日1998-12-28
公開日1999-05-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of an RNA duplex r(G GCGC CC)2 with non-adjacent G*U base pairs.
Nucleic Acids Res., 27, 1999
4MTC
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Crystal structure of human C53A DJ-1
分子名称: 1,2-ETHANEDIOL, Protein DJ-1
著者Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L.
登録日2013-09-19
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献DJ-1 Is a Copper Chaperone Acting on SOD1 Activation.
J.Biol.Chem., 289, 2014

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