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2V9L
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BU of 2v9l by Molmil
L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT Q6Y- E192A)
Descriptor: ACETATE ION, PHOSPHATE ION, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ...
Authors:Grueninger, D, Schulz, G.E.
Deposit date:2007-08-24
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Designed Protein-Protein Association.
Science, 319, 2008
2V6O
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BU of 2v6o by Molmil
Structure of Schistosoma mansoni Thioredoxin-Glutathione Reductase (SmTGR)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NITRATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Miele, A.E, Angelucci, F, Boumis, G, Dimastrogiovanni, D, Bellelli, A, Brunori, M.
Deposit date:2007-07-19
Release date:2008-03-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Glutathione Reductase and Thioredoxin Reductase at the Crossroad: The Structure of Schistosoma Mansoni Thioredoxin Glutathione Reductase
Proteins, 72, 2008
7OIF
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BU of 7oif by Molmil
CspA-27 cotranslational folding intermediate 2
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
Deposit date:2021-05-11
Release date:2022-01-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022
2V9M
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BU of 2v9m by Molmil
L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT A87M- T109F-E192A)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Grueninger, D, Schulz, G.E.
Deposit date:2007-08-24
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Designed Protein-Protein Association.
Science, 319, 2008
1PQI
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BU of 1pqi by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I118L/CORE7/TA
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
5LT8
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BU of 5lt8 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, SINEFUNGIN, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LVN
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BU of 5lvn by Molmil
Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ...
Authors:Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.379 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
7OIG
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BU of 7oig by Molmil
CspA-27 cotranslational folding intermediate 3
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
Deposit date:2021-05-11
Release date:2022-01-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022
7NWW
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BU of 7nww by Molmil
CspA-27 cotranslational folding intermediate 1
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
Deposit date:2021-03-17
Release date:2022-01-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022
2V9J
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BU of 2v9j by Molmil
Crystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP
Descriptor: 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ...
Authors:Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J.
Deposit date:2007-08-23
Release date:2007-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase
Nature, 449, 2007
1PU1
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BU of 1pu1 by Molmil
Solution structure of the Hypothetical protein mth677 from Methanothermobacter Thermautotrophicus
Descriptor: Hypothetical protein MTH677
Authors:Blanco, F.J, Yee, A, Campos-Olivas, R, Devos, D, Valencia, A, Arrowsmith, C.H, Rico, M.
Deposit date:2003-06-23
Release date:2004-06-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the hypothetical protein Mth677 from Methanobacterium thermoautotrophicum: A novel {alpha}+{beta} fold
Protein Sci., 13, 2004
7OII
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BU of 7oii by Molmil
CspA-70 cotranslational folding intermediate 2
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
Deposit date:2021-05-11
Release date:2022-01-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022
2UY7
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BU of 2uy7 by Molmil
Crystal structure of the P pilus rod subunit PapA
Descriptor: PAP FIMBRIAL MAJOR PILIN PROTEIN, PERIPLASMID CHAPERONE PAPD PROTEIN, SULFATE ION
Authors:Verger, D, Bullitt, E, Hultgren, S.J, Waksman, G.
Deposit date:2007-04-02
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the P Pilus Rod Subunit Papa.
Plos Pathog., 3, 2007
5LVP
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BU of 5lvp by Molmil
Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
1NYW
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BU of 1nyw by Molmil
The high resolution structures of RmlC from Streptoccus suis in complex with dTDP-D-glucose
Descriptor: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
Authors:Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
Deposit date:2003-02-14
Release date:2003-06-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
1NZC
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BU of 1nzc by Molmil
The high resolution structures of RmlC from Streptococcus suis in complex with dTDP-D-xylose
Descriptor: NICKEL (II) ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
Authors:Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
Deposit date:2003-02-17
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
7NTO
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BU of 7nto by Molmil
The structure of RRM domain of human TRMT2A at 1.23 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Witzenberger, M, Janowski, R, Davydova, E, Niessing, D.
Deposit date:2021-03-10
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
1NZQ
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BU of 1nzq by Molmil
D-Phe-Pro-Arg-Type Thrombin Inhibitor
Descriptor: (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID, Decapeptide Hirudin Analogue, Thrombin heavy chain, ...
Authors:Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
Deposit date:2003-02-19
Release date:2003-10-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety
Bioorg.Med.Chem.Lett., 13, 2003
2UUP
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BU of 2uup by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
Deposit date:2007-03-06
Release date:2008-03-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
7NXH
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BU of 7nxh by Molmil
Structure of SARS-CoV2 NSP5 (3C-like proteinase) determined in-house
Descriptor: 3C-like proteinase
Authors:Calderone, V, Grifagni, D, Cantini, F, Fragai, M, Banci, L.
Deposit date:2021-03-18
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design.
Chem.Commun.(Camb.), 57, 2021
2UW1
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BU of 2uw1 by Molmil
Ivy Desaturase Structure
Descriptor: (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID, FE (III) ION, PLASTID DELTA4 MULTIFUNCTIONAL ACYL-ACYL CARRIER PROTEIN DESATURASE, ...
Authors:Guy, J.E, Whittle, E, Kumaran, D, Lindqvist, Y, Shanklin, J.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of the Ivy {Delta}4-16:0-Acp Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity.
J.Biol.Chem., 282, 2007
1O28
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BU of 1o28 by Molmil
Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FdUMP at 2.1 A resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TRIETHYLENE GLYCOL, ...
Authors:Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG)
Deposit date:2003-02-18
Release date:2003-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
5LYX
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BU of 5lyx by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 5-((R)-1-[1,2,4]Triazolo[1,5-a]pyrimidin-7-yl-pyrrolidin-2-ylmethoxy)-isoquinoline
Descriptor: 5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Musil, D, Heinrich, T, Lehmann, M.
Deposit date:2016-09-29
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
1O2G
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BU of 1o2g by Molmil
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, ACETYL HIRUDIN, SODIUM ION, ...
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J.
Deposit date:2003-03-06
Release date:2003-05-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
1O2J
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J.
Deposit date:2003-03-06
Release date:2003-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003

224004

數據於2024-08-21公開中

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