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1H0G
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BU of 1h0g by Molmil
Complex of a chitinase with the natural product cyclopentapeptide argadin from Clonostachys
分子名称: Argadin, CHITINASE B, GLYCEROL
著者Houston, D, Shiomi, K, Arai, N, Omura, S, Peter, M.G, Turberg, A, Synstad, B, Eijsink, V.G.H, Aalten, D.M.F.
登録日2002-06-19
公開日2002-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High Resolution Inhibited Complexes of a Chitinase with Natural Product Cyclopentapeptides - Peptide Mimicry of a Carbohydrate Substrate
Proc.Natl.Acad.Sci.USA, 99, 2002
2ONQ
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BU of 2onq by Molmil
Gbeta1 stabilization by in vitro evolution and computational design
分子名称: Immunoglobulin G-binding protein G
著者Max, K.E.A, Heinemann, U.
登録日2007-01-24
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of the gbeta1 domain by computational design and by in vitro evolution: structural and energetic basis of stabilization.
J.Mol.Biol., 373, 2007
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2016-04-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
2B50
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BU of 2b50 by Molmil
Human Nuclear Receptor-Ligand Complex 2
分子名称: CALCIUM ION, Peroxisome proliferator activated receptor delta, VACCENIC ACID, ...
著者Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N.
登録日2005-09-27
公開日2006-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recombinant Human PPAR-beta/delta Ligand-binding Domain is Locked in an Activated Conformation by Endogenous Fatty Acids
J.Mol.Biol., 356, 2006
1K6C
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BU of 1k6c by Molmil
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称: ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein
著者Schiffer, C.A.
登録日2001-10-15
公開日2002-02-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
3BOM
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BU of 3bom by Molmil
Crystal structure of trout hemoglobin at 1.35 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ...
著者Aranda IV, R, Bingman, C.A, Bitto, E, Wesenberg, G.E, Richards, M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2007-12-17
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Trout Hemoglobin Crystal Structure at 1.35 Angstroms Resolution.
To be Published
5G5W
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BU of 5g5w by Molmil
Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators
分子名称: 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ...
著者Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T.
登録日2016-06-08
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators.
Bioorg.Med.Chem.Lett., 26, 2017
1GVK
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BU of 1gvk by Molmil
Porcine pancreatic elastase acyl enzyme at 0.95 A resolution
分子名称: CALCIUM ION, ELASTASE 1, PEPTIDE INHIBITOR, ...
著者Katona, G, Wilmouth, R.C, Wright, P.A, Berglund, G.I, Hajdu, J, Neutze, R, Schofield, C.J.
登録日2002-02-14
公開日2002-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献X-Ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution.
J.Biol.Chem., 277, 2002
1GNS
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BU of 1gns by Molmil
SUBTILISIN BPN'
分子名称: ACETONE, SUBTILISIN BPN'
著者Almog, O, Gallagher, D.T, Ladner, J.E, Strausberg, S, Alexander, P.
登録日2001-10-06
公開日2002-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Thermostability. Analysis of Stabilizing Mutations in Subtilisin Bpn'.
J.Biol.Chem., 277, 2002
1GXD
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BU of 1gxd by Molmil
proMMP-2/TIMP-2 complex
分子名称: 72 KDA TYPE IV COLLAGENASE, CALCIUM ION, METALLOPROTEINASE INHIBITOR 2, ...
著者Morgunova, E, Tuuttila, A, Bergmann, U, Tryggvason, K.
登録日2002-04-02
公開日2002-07-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Insight Into the Complex Formation of Latent Matrix Metalloproteinase 2 with Tissue Inhibitor of Metalloproteinase 2
Proc.Natl.Acad.Sci.USA, 99, 2002
4X29
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BU of 4x29 by Molmil
Structural basis for the enhancement of virulence by entomopoxvirus fusolin and its in vivo crystallization into viral spindles (complex with Zinc)
分子名称: Fusolin, ZINC ION
著者Aizel, K, Boudes, M, Coulibaly, F.
登録日2014-11-26
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization.
Proc.Natl.Acad.Sci.USA, 112, 2015
3C87
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BU of 3c87 by Molmil
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of enterobactin
分子名称: Enterochelin esterase, PHOSPHATE ION, SODIUM ION
著者Kim, Y, Maltseva, N, Abergel, R, Raymond, K, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-02-11
公開日2008-02-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Siderophore Mediated Iron Acquisition: Structure and Specificity of Enterobactin Esterase from Shigella flexneri.
To be Published
2AU3
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BU of 2au3 by Molmil
Crystal Structure of the Aquifex aeolicus primase (Zinc Binding and RNA Polymerase Domains)
分子名称: DNA primase, ZINC ION
著者Corn, J.E, Pease, P.J, Hura, G.L, Berger, J.M.
登録日2005-08-26
公開日2005-11-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crosstalk between primase subunits can act to regulate primer synthesis in trans.
Mol.Cell, 20, 2005
2APF
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BU of 2apf by Molmil
Crystal Structure of the A52V/S54N/K66E variant of the murine T cell receptor V beta 8.2 domain
分子名称: MALONIC ACID, T cell receptor beta chain V
著者Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J.
登録日2005-08-16
公開日2006-03-21
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Structure, 13, 2005
2APT
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BU of 2apt by Molmil
Crystal Structure of the G17E/S54N/K66E/Q72H/E80V/L81S/T87S/G96V variant of the murine T cell receptor V beta 8.2 domain
分子名称: MALONIC ACID, T-cell receptor beta chain V
著者Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J.
登録日2005-08-16
公開日2006-03-21
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Structure, 13, 2005
1K6P
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BU of 1k6p by Molmil
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称: ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein
著者Schiffer, C.A.
登録日2001-10-16
公開日2002-02-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
5KK3
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BU of 5kk3 by Molmil
Atomic Resolution Structure of Monomorphic AB42 Amyloid Fibrils
分子名称: Beta-amyloid protein 42
著者Colvin, M.T, Silvers, R, Zhe Ni, Q, Can, T.V, Sergeyev, I, Rosay, M, Donovan, K.J, Michael, B, Wall, J, Linse, S, Griffin, R.G.
登録日2016-06-20
公開日2016-07-13
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Atomic Resolution Structure of Monomorphic A beta 42 Amyloid Fibrils.
J.Am.Chem.Soc., 138, 2016
5KSX
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BU of 5ksx by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072
分子名称: Farnesyl pyrophosphate synthase, PHOSPHATE ION, [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid
著者Park, J, Matralis, A, Tsantrizos, Y.S, Berghuis, A.M.
登録日2016-07-10
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
1H4W
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BU of 1h4w by Molmil
Structure of human trypsin IV (brain trypsin)
分子名称: BENZAMIDINE, CALCIUM ION, TRYPSIN IVA
著者Katona, G, Berglund, G.I, Hajdu, J, Graf, L, Szilagyi, L.
登録日2001-05-15
公開日2002-02-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure reveals basis for the inhibitor resistance of human brain trypsin.
J. Mol. Biol., 315, 2002
5EJN
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BU of 5ejn by Molmil
Crystal structure of Juno, the mammalian egg receptor for sperm Izumo1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sperm-egg fusion protein Juno
著者Nishimura, K, Han, L, Jovine, L.
登録日2015-11-02
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Divergent evolution of vitamin B9 binding underlies Juno-mediated adhesion of mammalian gametes.
Curr.Biol., 26, 2016
5EU8
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BU of 5eu8 by Molmil
Structure of FIPV main protease in complex with dual inhibitors
分子名称: 1,2-ETHANEDIOL, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, ZINC ION, ...
著者Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H.
登録日2015-11-18
公開日2015-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors
J.Virol., 90, 2015
2Z2O
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BU of 2z2o by Molmil
Crystal Structure of apo virginiamycin B lyase from Staphylococcus aureus
分子名称: CHLORIDE ION, virginiamycin B lyase
著者Korczynska, M, Berghuis, A.M.
登録日2007-05-25
公開日2007-06-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for streptogramin B resistance in Staphylococcus aureus by virginiamycin B lyase
Proc.Natl.Acad.Sci.Usa, 104, 2007
5IDI
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BU of 5idi by Molmil
Structure of beta glucosidase 1A from Thermotoga neapolitana, mutant E349A
分子名称: 1,4-beta-D-glucan glucohydrolase, ACETATE ION
著者Kulkarni, T, Nordberg Karlsson, E, Logan, D.T.
登録日2016-02-24
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of beta-glucosidase 1A from Thermotoga neapolitana and comparison of active site mutants for hydrolysis of flavonoid glucosides.
Proteins, 85, 2017
5IJC
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BU of 5ijc by Molmil
The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ...
著者Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
登録日2016-03-01
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
1GV3
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BU of 1gv3 by Molmil
The 2.0 Angstrom resolution structure of the catalytic portion of a cyanobacterial membrane-bound manganese superoxide dismutase
分子名称: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
著者Atzenhofer, W, Regelsberger, G, Jacob, U, Huber, R, Peschek, G.A, Obinger, C.
登録日2002-02-05
公開日2002-08-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2.0A Resolution Structure of the Catalytic Portion of a Cyanobacterial Membrane-Bound Manganese Superoxide Dismutase
J.Mol.Biol., 321, 2002

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