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1I7C
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BU of 1i7c by Molmil
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE)
分子名称: 1,4-DIAMINOBUTANE, METHYLGLYOXAL BIS-(GUANYLHYDRAZONE), S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ...
著者Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E.
登録日2001-03-08
公開日2001-08-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
5HJO
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BU of 5hjo by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with bound substrate analogue
分子名称: 1,2-ETHANEDIOL, 2-deoxy-alpha-D-arabino-hexopyranose-(1-3)-D-glucal, ACETATE ION, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2016-01-13
公開日2016-07-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
1QR3
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Structure of porcine pancreatic elastase in complex with FR901277, a novel macrocyclic inhibitor of elastases at 1.6 angstrom resolution
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, FR901277 Inhibitor, ...
著者Nakanishi, I, Kinoshita, T, Sato, A, Tada, T.
登録日1999-06-18
公開日2000-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of porcine pancreatic elastase complexed with FR901277, a novel macrocyclic inhibitor of elastases, at 1.6 A resolution.
Biopolymers, 53, 2000
3MAU
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Crystal structure of StSPL in complex with phosphoethanolamine
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, sphingosine-1-phosphate lyase, ...
著者Bourquin, F, Grutter, M.G, Capitani, G.
登録日2010-03-24
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3R0O
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Crystal structure of carnitinyl-CoA hydratase from Mycobacterium avium
分子名称: 1,2-ETHANEDIOL, Carnitinyl-CoA dehydratase, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-03-08
公開日2011-03-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
1YHZ
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BU of 1yhz by Molmil
Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Chlorsulfuron
分子名称: 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ...
著者McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G.
登録日2005-01-10
公開日2006-01-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase
Proc.Natl.Acad.Sci.Usa, 103, 2006
4OCZ
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BU of 4ocz by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
分子名称: 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
登録日2014-01-09
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
2JEP
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BU of 2jep by Molmil
Native family 5 xyloglucanase from Paenibacillus pabuli
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, XYLOGLUCANASE
著者Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J.
登録日2007-01-18
公開日2007-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12.
J.Biol.Chem., 282, 2007
3MSZ
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Crystal Structure of Glutaredoxin 1 from Francisella tularensis Complexed with Cacodylate
分子名称: CACODYLATE ION, GLUTATHIONE, GLYCEROL, ...
著者Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-04-29
公開日2010-05-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Crystal Structure of Glutaredoxin 1 from Francisella tularensis Complexed with Cacodylate
To be Published
4OLU
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Crystal structure of antibody VRC07 in complex with clade A/E 93TH057 HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2014-01-25
公開日2014-09-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
3W8Q
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BU of 3w8q by Molmil
Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1)
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Nakae, S, Kitamura, M, Shirai, T, Tada, T.
登録日2013-03-20
公開日2014-03-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of mitogen-activated protein kinase kinase 1 in the DFG-out conformation.
Acta Crystallogr.,Sect.F, 77, 2021
2WGS
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BU of 2wgs by Molmil
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor.
分子名称: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1
著者Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L.
登録日2009-04-27
公開日2009-09-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
4OQ9
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BU of 4oq9 by Molmil
Satellite Tobacco Mosaic Virus Refined to 1.4 A Resolution using non-crystallographic symmetry restraints
分子名称: Coat protein, MAGNESIUM ION, PHOSPHATE ION, ...
著者Larson, S.B, Day, J.S, McPherson, A.
登録日2014-02-07
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Satellite tobacco mosaic virus refined to 1.4 angstrom resolution.
Acta Crystallogr.,Sect.D, 70, 2014
3WE4
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BU of 3we4 by Molmil
Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative PF-4708671 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole
分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, Ribosomal protein S6 kinase beta-1, ZINC ION
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-06-29
公開日2014-08-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3MHS
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BU of 3mhs by Molmil
Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module bound to ubiquitin aldehyde
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein SUS1, ...
著者Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C.
登録日2010-04-08
公開日2010-04-21
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural insights into the assembly and function of the SAGA deubiquitinating module.
Science, 328, 2010
5TZA
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BU of 5tza by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine
分子名称: MAGNESIUM ION, ZINC ION, [(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone, ...
著者Xu, R, Aertgeerts, K.
登録日2016-11-21
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
3D14
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BU of 3d14 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
分子名称: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
著者Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
登録日2008-05-04
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
1E25
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BU of 1e25 by Molmil
The high resolution structure of PER-1 class A beta-lactamase
分子名称: EXTENDED-SPECTRUM BETA-LACTAMASE PER-1, SULFATE ION
著者Tranier, S, Bouthors, A.T, Maveyraud, L, Guillet, V, Sougakoff, W, Samama, J.P.
登録日2000-05-17
公開日2000-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The High Resolution Crystal Structure for Class a Beta-Lactamase Per-1 Reveals the Bases for its Increase in Breadth of Activity
J.Biol.Chem., 275, 2000
1IG7
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Msx-1 Homeodomain/DNA Complex Structure
分子名称: 5'-D(*CP*AP*CP*TP*AP*AP*TP*TP*GP*AP*AP*GP*G)-3', 5'-D(P*TP*CP*CP*TP*TP*CP*AP*AP*TP*TP*AP*GP*TP*GP*AP*C)-3', Homeotic protein Msx-1
著者Hovde, S, Abate-Shen, C, Geiger, J.H.
登録日2001-04-17
公開日2001-04-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the Msx-1 homeodomain/DNA complex
Biochemistry, 40, 2001
2OIB
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Crystal structure of IRAK4 kinase domain apo form
分子名称: Interleukin-1 receptor-associated kinase 4
著者Kuglstatter, A, Villasenor, A.G, Browner, M.F.
登録日2007-01-10
公開日2007-03-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
6L63
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Human Coagulation Factor XIIa (FXIIa) bound with the macrocyclic peptide F3 containing two (1S,2S)-2-ACHC residues
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, ACETYL GROUP, ...
著者Sengoku, T, Katoh, T, Hirata, K, Suga, H, Ogata, K.
登録日2019-10-26
公開日2020-09-02
最終更新日2025-09-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ribosomal synthesis and de novo discovery of bioactive foldamer peptides containing cyclic beta-amino acids.
Nat.Chem., 12, 2020
4FNS
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BU of 4fns by Molmil
Crystal structure of GH36 alpha-galactosidase AgaA A355E from Geobacillus stearothermophilus in complex with 1-deoxygalactonojirimycin
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-galactosidase AgaA, ...
著者Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P.
登録日2012-06-20
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012
1E0C
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SULFURTRANSFERASE FROM AZOTOBACTER VINELANDII
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ...
著者Bordo, D, Deriu, D, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M.
登録日2000-03-23
公開日2000-05-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Crystal Structure of a Sulfurtransferase from Azotobacter Vinelandii Highlights the Evolutionary Relationship between the Rhodanese and Phosphatase Enzyme Families
J.Mol.Biol., 298, 2000
1UZQ
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Integrin binding cbEGF22-TB4-cbEGF33 fragment of human fibrillin-1, apo form cbEGF23 domain only.
分子名称: FIBRILLIN-1
著者Lee, S.S.J, Knott, V, Harlos, K, Handford, P.A, Stuart, D.I.
登録日2004-03-15
公開日2004-04-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Integrin Binding Fragment from Fibrillin-1 Gives New Insights Into Microfibril Organization
Structure, 12, 2004

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