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3GJN
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Following evolutionary paths to high affinity and selectivity protein-protein interactions using Colicin7 and Immunity proteins
分子名称: Colicin-E7, Colicin-E9 immunity protein, ZINC ION
著者Dym, O, Tawfik, D.S.
登録日2009-03-09
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Following evolutionary paths to protein-protein interactions with high affinity and selectivity
Nat.Struct.Mol.Biol., 16, 2009
4OHM
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BU of 4ohm by Molmil
Human GKRP bound to AMG-0771 and sorbitol-6-phosphate
分子名称: (2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者Jordan, S.R, Chmait, S.
登録日2014-01-17
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
6Q2K
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BU of 6q2k by Molmil
The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin
分子名称: Agglutinin receptor, CALCIUM ION
著者Schormann, N, Deivanayagam, C.
登録日2019-08-08
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin
To Be Published
3LM1
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BU of 3lm1 by Molmil
Crystal Structure Analysis of Maclura pomifera agglutinin complex with p-nitrophenyl-GalNAc
分子名称: 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Agglutinin alpha chain, Agglutinin beta-2 chain
著者Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M.
登録日2010-01-29
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses.
Glycobiology, 20, 2010
4YEO
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BU of 4yeo by Molmil
Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ...
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-24
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-06
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6Q2L
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BU of 6q2l by Molmil
The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin
分子名称: Agglutinin receptor, GLYCEROL, MAGNESIUM ION
著者Schormann, N, Deivanayagam, C.
登録日2019-08-08
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin
To Be Published
3G4D
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BU of 3g4d by Molmil
Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis
分子名称: (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL
著者Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W.
登録日2009-02-03
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
3LVW
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BU of 3lvw by Molmil
Glutathione-inhibited ScGCL
分子名称: GLUTATHIONE, Glutamate--cysteine ligase, TRIETHYLENE GLYCOL
著者Biterova, E.I, Barycki, J.J.
登録日2010-02-22
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for feedback and pharmacological inhibition of Saccharomyces cerevisiae glutamate cysteine ligase.
J.Biol.Chem., 285, 2010
6K0E
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BU of 6k0e by Molmil
The quinary complex of AsqJ-Fe-2OG-dehydrocyclopeptin-dioxygen
分子名称: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-OXOGLUTARIC ACID, FE (III) ION, ...
著者Liao, H.J, Chan, N.L.
登録日2019-05-06
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献The quinary complex of AsqJ-Fe-2OG-dehydrocyclopeptin-dioxygen
J.Am.Chem.Soc., 2020
5HI1
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BU of 5hi1 by Molmil
Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35
分子名称: ACETATE ION, Immunoglobulin G-binding protein G
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-11
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-13
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1012 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
3HKN
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BU of 3hkn by Molmil
Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide
分子名称: 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose-(1-4)-(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ...
著者Paul, B, Poulsen, S.-A, Hofmann, A.
登録日2009-05-25
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
5HKN
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BU of 5hkn by Molmil
Crystal structure de novo designed fullerene organizing protein complex with fullerene
分子名称: (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein
著者Paul, J, Acharya, R, Kim, K.-H, Kim, Y.H, Kim, N.H, Grigoryan, G, DeGardo, W.F.
登録日2016-01-14
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
3HKQ
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BU of 3hkq by Molmil
Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide
分子名称: (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ...
著者Paul, B, Poulsen, S.-A, Hofmann, A.
登録日2009-05-25
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3LLY
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BU of 3lly by Molmil
Crystal Structure Analysis of Maclura pomifera agglutinin
分子名称: Agglutinin alpha chain, Agglutinin beta-2 chain
著者Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M.
登録日2010-01-29
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses.
Glycobiology, 20, 2010
3HKU
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BU of 3hku by Molmil
Human carbonic anhydrase II in complex with topiramate
分子名称: Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
著者Paul, B, Poulsen, S.-A, Hofmann, A.
登録日2009-05-25
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKT
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BU of 3hkt by Molmil
Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide
分子名称: Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
著者Paul, B, Poulsen, S.-A, Hofmann, A.
登録日2009-05-25
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
5VOE
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BU of 5voe by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t
分子名称: Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ...
著者Gunaratne, R, Kumar, S, Frederiksen, J.W, Stayrook, S, Lohrmann, J.L, Perry, K, Chabata, C.V, Thalji, N.K, Ho, M.D, Arepally, G, Camire, R.M, Krishnaswamy, S.K, Sullenger, B.A.
登録日2017-05-02
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
5W3K
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BU of 5w3k by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD
分子名称: Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Patel, K.M, Teran, D, Zheng, S, Kandale, A, Schembri, M, McGeary, R.P, Schenk, G, Guddat, L.W.
登録日2017-06-08
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity.
Chemistry, 23, 2017
4JB8
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BU of 4jb8 by Molmil
Caspase-7 in Complex with DARPin C7_16
分子名称: Caspase-7 subunit p11, Caspase-7 subunit p20, DARPin C7_16
著者Fluetsch, A, Seeger, M.A, Gruetter, M.G.
登録日2013-02-19
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity.
Protein Sci., 22, 2013
6K0F
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BU of 6k0f by Molmil
The crystal structure of cyclopenin-bound AsqJ quinary complex
分子名称: (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione, 2-OXOGLUTARIC ACID, FE (III) ION, ...
著者Liao, H.J, Chan, N.L.
登録日2019-05-06
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.634 Å)
主引用文献The crystal structure of cyclopenin-bound AsqJ quinary complex
J.Am.Chem.Soc., 2020
1TJL
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BU of 1tjl by Molmil
Crystal structure of transcription factor DksA from E. coli
分子名称: DnaK suppressor protein, ZINC ION
著者Perederina, A, Svetlov, V, Vassylyeva, M.N, Artsimovitch, I, Yokoyama, S, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-06-06
公開日2004-09-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Regulation through the secondary channel--structural framework for ppGpp-DksA synergism during transcription
Cell(Cambridge,Mass.), 118, 2004
5UA0
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BU of 5ua0 by Molmil
Dimeric crystal structure of HTPA reductase from arabidopsis thaliana
分子名称: 4-hydroxy-tetrahydrodipicolinate reductase 2, chloroplastic, SULFATE ION
著者Keown, J.K, Pearce, F.G, Goldstone, D.C.
登録日2016-12-18
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Plant DHDPR forms a dimer with unique secondary structure features that preclude higher-order assembly.
Biochem. J., 475, 2018
6KZL
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Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor X2
分子名称: 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase, SULFATE ION, ...
著者Wachino, J.
登録日2019-09-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020

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