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4L6T
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GM1 bound form of the ECX AB5 holotoxin
分子名称: ECXA, ECXB, ZINC ION, ...
著者Littler, D.R, Ng, N.M, Rossjohn, J, Beddoe, T.
登録日2013-06-12
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献EcxAB Is a Founding Member of a New Family of Metalloprotease AB5 Toxins with a Hybrid Cholera-like B Subunit.
Structure, 21, 2013
5JFS
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BU of 5jfs by Molmil
Crystal structure of TrkA in complex with PF-00593174
分子名称: High affinity nerve growth factor receptor, N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea
著者Jayasankar, J, Brown, D, Skerratt, S, Kurumbail, R.
登録日2016-04-19
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59, 2016
5JFV
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Crystal structure of TrkA in complex with PF-05206283
分子名称: High affinity nerve growth factor receptor, N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide
著者Jayasankar, J, Kurumbail, R, Brown, D, Skerratt, S.
登録日2016-04-19
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59, 2016
6QHO
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BU of 6qho by Molmil
Dual specificity mitogen-activated protein kinase kinase 7 in complex with pyrazolopyrimidine 1a
分子名称: 1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-17
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
4YAZ
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BU of 4yaz by Molmil
3',3'-cGAMP riboswitch bound with 3',3'-cGAMP
分子名称: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, MAGNESIUM ION, POTASSIUM ION, ...
著者Ren, A.M, Patel, D.J, Rajashankar, R.K.
登録日2015-02-18
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch.
Cell Rep, 11, 2015
4NI3
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BU of 4ni3 by Molmil
Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the closed form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ...
著者Cao, H, Walton, J.D, Brumm, P, Phillips Jr, G.N.
登録日2013-11-05
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3993 Å)
主引用文献Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum.
J.Biol.Chem., 289, 2014
6LBV
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Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: ACETATE ION, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-15
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
5FBI
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BU of 5fbi by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b
分子名称: 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid, Complement factor D, GLYCEROL
著者Ostermann, N, Zink, F.
登録日2015-12-14
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
1HLC
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BU of 1hlc by Molmil
X-RAY CRYSTAL STRUCTURE OF THE HUMAN DIMERIC S-LAC LECTIN, L-14-II, IN COMPLEX WITH LACTOSE AT 2.9 ANGSTROMS RESOLUTION
分子名称: HUMAN LECTIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Lobsanov, Y.D, Gitt, M.A, Leffler, H, Barondes, S, Rini, J.M.
登録日1993-10-13
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray crystal structure of the human dimeric S-Lac lectin, L-14-II, in complex with lactose at 2.9-A resolution.
J.Biol.Chem., 268, 1993
2WO2
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BU of 2wo2 by Molmil
Crystal Structure of the EphA4-ephrinB2 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EPHRIN TYPE-A RECEPTOR, EPHRIN-B2
著者Bowden, T.A, Aricescu, A.R, Nettleship, J.E, Siebold, C, Rahman-Huq, N, Owens, R.J, Stuart, D.I, Jones, E.Y.
登録日2009-07-21
公開日2009-10-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Plasticity of Eph-Receptor A4 Facilitates Cross-Class Ephrin Signalling
Structure, 17, 2009
2X7X
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BU of 2x7x by Molmil
Fructose binding periplasmic domain of hybrid two component system BT1754
分子名称: PHOSPHATE ION, POTASSIUM ION, SENSOR PROTEIN, ...
著者Sonnenburg, E.D, Zheng, H, Joglekar, P, Higginbottom, S, Firbank, S.J, Bolam, D.N, Sonnenburg, J.L.
登録日2010-03-04
公開日2010-07-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Specificity of Polysaccharide Use in Intestinal Bacteroides Species Determines Diet-Induced Microbiota Alterations.
Cell(Cambridge,Mass.), 141, 2010
6TM8
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BU of 6tm8 by Molmil
Crystal structure of glycoprotein D of Equine Herpesvirus Type 4
分子名称: Envelope glycoprotein D, GLYCEROL
著者Kremling, V, Loll, B, Osterrieder, N, Wahl, M, Dahmani, I, Chiantia, P, Azab, W.
登録日2019-12-03
公開日2020-11-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of glycoprotein D of equine alphaherpesviruses reveal potential binding sites to the entry receptor MHC-I.
Front Microbiol, 14, 2023
3NGB
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BU of 3ngb by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 gp120
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, T, Kwong, P.D.
登録日2010-06-11
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural basis for broad and potent neutralization of HIV-1 by antibody VRC01.
Science, 329, 2010
6TPV
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BU of 6tpv by Molmil
Crystal structures of FNIII domain one and two of the human leucocyte common antigen-related protein, LAR
分子名称: IMIDAZOLE, Receptor-type tyrosine-protein phosphatase F
著者Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D.
登録日2019-12-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020
1GWM
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BU of 1gwm by Molmil
Carbohydrate binding module family29 complexed with glucohexaose
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, NON-CATALYTIC PROTEIN 1, ...
著者Charnock, S.J, Nurizzo, D, Davies, G.J.
登録日2002-03-19
公開日2003-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Promiscuity in Ligand-Binding: The Three-Dimensional Structure of a Piromyces Carbohydrate-Binding Module,Cbm29-2,in Complex with Cello- and Mannohexaose
Proc.Natl.Acad.Sci.USA, 99, 2002
6IBW
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BU of 6ibw by Molmil
Crh5 transglycosylase in complex with NAG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Probable glycosidase crf1
著者Fang, W, Bartual, S.G, van Aalten, D.M.F.
登録日2018-12-01
公開日2019-02-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
4APH
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BU of 4aph by Molmil
Human angiotensin-converting enzyme in complex with angiotensin-II
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ...
著者Masuyer, G, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Acharya, K.R.
登録日2012-04-03
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular Recognition and Regulation of Human Angiotensin-I Converting Enzyme (Ace) Activity by Natural Inhibitory Peptides.
Sci.Rep., 2, 2012
3KSM
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BU of 3ksm by Molmil
Crystal structure of ABC-type sugar transport system, periplasmic component from Hahella chejuensis
分子名称: ABC-type sugar transport system, periplasmic component, beta-D-ribofuranose
著者Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-11-23
公開日2009-12-15
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of ABC-type sugar transport system, periplasmic component from Hahella chejuensis
To be Published
5V4W
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BU of 5v4w by Molmil
Human glucokinase in complex with novel indazole activator.
分子名称: (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Skene, R.J, Hosfield, D.J.
登録日2017-03-10
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
1GVY
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BU of 1gvy by Molmil
Substrate distorsion by beta-mannanase from Pseudomonas cellulosa
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ...
著者Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J.
登録日2002-02-28
公開日2002-09-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State
Angew.Chem.Int.Ed.Engl., 41, 2002
1FAY
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BU of 1fay by Molmil
WINGED BEAN ACIDIC LECTIN COMPLEXED WITH METHYL-ALPHA-D-GALACTOSE (MONOCLINIC FORM)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACIDIC LECTIN, CALCIUM ION, ...
著者Manoj, N, Srinivas, V.R, Surolia, A, Vijayan, M, Suguna, K.
登録日2000-07-14
公開日2001-07-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Carbohydrate specificity and salt-bridge mediated conformational change in acidic winged bean agglutinin.
J.Mol.Biol., 302, 2000
4X2F
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BU of 4x2f by Molmil
Selection of fragments for kinase inhibitor design: decoration is key
分子名称: 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1
著者Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D.
登録日2014-11-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
5DFI
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BU of 5dfi by Molmil
Human APE1 phosphorothioate substrate complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
著者Freudenthal, B.D, Wilson, S.H.
登録日2015-08-26
公開日2015-10-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
2V5R
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BU of 2v5r by Molmil
Structural basis for Dscam isoform specificity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DSCAM, GLYCEROL
著者Meijers, R, Puettmann-Holgado, R, Skiniotis, G, Liu, J.-H, Walz, T, Schmucker, D, Wang, J.-H.
登録日2007-07-09
公開日2007-09-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis of Dscam Isoform Specificity
Nature, 449, 2007
2VHL
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The Three-dimensional structure of the N-Acetylglucosamine-6- phosphate deacetylase from Bacillus subtilis
分子名称: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, FE (III) ION, N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE, ...
著者Vincent, F, Yates, D, Garman, E, Davies, G.J.
登録日2007-11-22
公開日2007-12-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Three-Dimensional Structure of the N-Acetylglucosamine-6-Phosphate Deacetylase from Bacillus Subtilis
J.Biol.Chem., 279, 2004

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