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4OP8
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BU of 4op8 by Molmil
Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation
分子名称: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-05
公開日2015-05-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
1ZTG
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BU of 1ztg by Molmil
human alpha polyC binding protein KH1
分子名称: 5'-D(P*CP*CP*CP*TP*CP*CP*CP*T)-3', POLY(RC)-BINDING PROTEIN 1
著者Sidiqi, M, Wilce, J.A, Barker, A, Schmidgerger, J, Leedman, P.J, Wilce, M.C.J.
登録日2005-05-27
公開日2006-05-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Contribution of the first K-homology domain of poly(C)-binding protein 1 to its affinity and specificity for C-rich oligonucleotides
Nucleic Acids Res., 40, 2012
4FMW
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BU of 4fmw by Molmil
Crystal structure of methyltransferase domain of human RNA (guanine-9-) methyltransferase domain containing protein 2
分子名称: 1,2-ETHANEDIOL, POTASSIUM ION, RNA (guanine-9-)-methyltransferase domain-containing protein 2, ...
著者Dong, A, Zeng, H, Loppnau, P, Tempel, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-06-18
公開日2012-08-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of methyltransferase domain of human RNA (guanine-9-) methyltransferase domain containing protein 2
TO BE PUBLISHED
3EFQ
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BU of 3efq by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714
分子名称: 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Gao, Y, Robinson, H, Oldfield, E.
登録日2008-09-09
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
4FOV
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BU of 4fov by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 3-Cyclohexyl-1-propylsulfonic acid
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2012-06-21
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
6D1I
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BU of 6d1i by Molmil
Crystal structure of NDM-1 complexed with compound 12
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
1TON
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BU of 1ton by Molmil
RAT SUBMAXILLARY GLAND SERINE PROTEASE, TONIN. STRUCTURE SOLUTION AND REFINEMENT AT 1.8 ANGSTROMS RESOLUTION
分子名称: TONIN, ZINC ION
著者Fujinaga, M, James, M.N.G.
登録日1987-06-03
公開日1988-01-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rat submaxillary gland serine protease, tonin. Structure solution and refinement at 1.8 A resolution.
J.Mol.Biol., 195, 1987
2VU7
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BU of 2vu7 by Molmil
Atomic resolution (1.08 A) structure of purified thaumatin I grown in sodium meso-tartrate at 4 C
分子名称: 1,2-ETHANEDIOL, S,R MESO-TARTARIC ACID, Thaumatin-1
著者Jakoncic, J, Asherie, N, Ginsberg, C.
登録日2008-05-21
公開日2009-07-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
4RH3
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BU of 4rh3 by Molmil
AMPPCP-bound structure of human platelet phosphofructokinase in an R-state, crystal form II
分子名称: ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ...
著者Kloos, M.
登録日2014-10-01
公開日2015-06-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
1Q8F
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BU of 1q8f by Molmil
Crystal Structure of the E.coli pyrimidine nucleoside hydrolase yeiK
分子名称: CALCIUM ION, GLYCEROL, Pyrimidine nucleoside hydrolase
著者Giabbai, B, Degano, M.
登録日2003-08-21
公開日2004-05-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure to 1.7 a of the Escherichia coli pyrimidine nucleoside hydrolase YeiK, a novel candidate for cancer gene therapy.
STRUCTURE, 12, 2004
4FGF
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BU of 4fgf by Molmil
REFINEMENT OF THE STRUCTURE OF HUMAN BASIC FIBROBLAST GROWTH FACTOR AT 1.6 ANGSTROMS RESOLUTION AND ANALYSIS OF PRESUMED HEPARIN BINDING SITES BY SELENATE SUBSTITUTION
分子名称: BASIC FIBROBLAST GROWTH FACTOR, BETA-MERCAPTOETHANOL, SULFATE ION
著者Eriksson, A.E, Matthews, B.W.
登録日1993-02-26
公開日1993-07-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Refinement of the structure of human basic fibroblast growth factor at 1.6 A resolution and analysis of presumed heparin binding sites by selenate substitution.
Protein Sci., 2, 1993
1MCV
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BU of 1mcv by Molmil
Crystal Structure Analysis of a Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase
分子名称: CALCIUM ION, Elastase 1, HEI-TOE I, ...
著者Ay, J, Hilpert, K, Krauss, N, Schneider-Mergener, J, Hoehne, W.
登録日2002-08-06
公開日2003-02-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a hybrid squash inhibitor in complex with porcine pancreatic elastase at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
3ENE
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BU of 3ene by Molmil
Complex of PI3K gamma with an inhibitor
分子名称: 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A.
登録日2008-09-25
公開日2008-10-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
Nat.Chem.Biol., 4, 2008
4C1S
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BU of 4c1s by Molmil
Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482
分子名称: 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE
著者Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J.
登録日2013-08-13
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
3QNI
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BU of 3qni by Molmil
Crystal structure of human PACSIN 1 F-BAR domain
分子名称: CALCIUM ION, Protein kinase C and casein kinase substrate in neurons protein 1
著者Meng, G, Bai, X, Zheng, X.
登録日2011-02-08
公開日2011-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human PACSIN 1 F-BAR domain
to be published
7JNR
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BU of 7jnr by Molmil
Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide
分子名称: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.443 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
3Q90
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BU of 3q90 by Molmil
Crystal structure of the NTF2 domain of Ras GTPase-activating protein-binding protein 1
分子名称: Ras GTPase-activating protein-binding protein 1
著者Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2011-01-07
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the NTF2 domain of Ras GTPase-activating protein-binding protein 1
To be Published
4CDK
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BU of 4cdk by Molmil
Structure of ZNRF3-RSPO1
分子名称: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-1
著者Peng, W.C, de Lau, W, Madoori, P.K, Forneris, F, Granneman, J.C.M, Clevers, H, Gros, P.
登録日2013-11-01
公開日2014-01-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Wnt-Antagonist Znrf3 and its Complex with R-Spondin 1 and Implications for Signaling.
Plos One, 8, 2013
3QA2
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BU of 3qa2 by Molmil
X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2
分子名称: Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION
著者Abad, M.C.
登録日2011-01-10
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.519 Å)
主引用文献Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
4N5V
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BU of 4n5v by Molmil
Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-4-fluorobenzoic acid, Anthranilate phosphoribosyltransferase, ...
著者Castell, A, Cookson, T.V.M, Parker, E.J, Baker, E.N, Lott, J.S.
登録日2013-10-10
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
4MSD
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BU of 4msd by Molmil
Crystal structure of Schizosaccharomyces pombe AMSH-like protein SST2 T319I mutant
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, AMSH-like protease sst2, ...
著者Shrestha, R.K, Ronau, J.A, Das, C.
登録日2013-09-18
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014
1MTW
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BU of 1mtw by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
分子名称: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, TRYPSIN
著者Stubbs, M.T.
登録日1997-05-16
公開日1997-11-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin.
FEBS Lett., 375, 1995
3BSH
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BU of 3bsh by Molmil
Barley alpha-amylase isozyme 1 (AMY1) double mutant Y105A/Y380A in complex with inhibitor acarbose
分子名称: Alpha-amylase type A isozyme, CALCIUM ION, beta-D-glucopyranose
著者Aghajari, N, Robert, X, Haser, R.
登録日2007-12-24
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Multi-site substrate binding and interplay in barley alpha-amylase 1
Febs Lett., 582, 2008
4MUI
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BU of 4mui by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-methoxyphenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
分子名称: (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-22
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
2GQI
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Solution structure of the SH3 domain of human Ras GTPase-activating protein 1
分子名称: Ras GTPase-activating protein 1
著者Kurosaki, C, Hayashi, F, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-04-21
公開日2006-10-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the SH3 domain of human Ras GTPase-activating protein 1
To be Published

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