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4AAY
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BU of 4aay by Molmil
Crystal Structure of the arsenite oxidase protein complex from Rhizobium species strain NT-26
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, AROA, AROB, ...
著者Oke, M, Santini, J.M, Naismith, J.H.
登録日2011-12-05
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Respiratory Arsenite Oxidase: Structure and the Role of Residues Surrounding the Rieske Cluster.
Plos One, 8, 2013
4AW2
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Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha)
分子名称: 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA
著者Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2012-05-30
公開日2012-06-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cdc42 Binding Protein Kinase Alpha (Mrck Alpha)
To be Published
4B02
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BU of 4b02 by Molmil
The C-terminal Priming Domain is Strongly Associated with the Main Body of Bacteriophage phi6 RNA-Dependent RNA Polymerase
分子名称: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Sarin, L.P, Wright, S, Chen, Q, Degerth, L.H, Stuart, D.I, Grimes, J.M, Bamford, D.H, Poranen, M.M.
登録日2012-06-27
公開日2012-08-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The C-Terminal Priming Domain is Strongly Associated with the Main Body of Bacteriophage Phi6 RNA-Dependent RNA Polymerase.
Virology, 432, 2012
4B6P
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BU of 4b6p by Molmil
Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid
分子名称: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2012-08-14
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4AUC
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BU of 4auc by Molmil
Bovine chymosin in complex with Pepstatin A
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHYMOSIN, ...
著者Langholm Jensen, J, Navarro Poulsen, J.C, Jacobsen, J, van den Brink, J.M, Qvist, K.B, Larsen, S.
登録日2012-05-16
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Structure of Bovine Chymosin in Complex with Pepstatin A
To be Published
4BD2
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BU of 4bd2 by Molmil
Bax domain swapped dimer in complex with BidBH3
分子名称: APOPTOSIS REGULATOR BAX, BH3-INTERACTING DOMAIN DEATH AGONIST
著者Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
登録日2012-10-04
公開日2013-02-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4BLQ
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BU of 4blq by Molmil
P4 PROTEIN FROM BACTERIOPHAGE PHI8
分子名称: P4
著者El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J.
登録日2013-05-04
公開日2013-08-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Nucleic Acids Res., 41, 2013
4BIL
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BU of 4bil by Molmil
Threading model of the T7 large terminase within the gp8gp19 complex
分子名称: DNA MATURASE B
著者Dauden, M.I, Martin-Benito, J, Sanchez-Ferrero, J.C, Pulido-Cid, M, Valpuesta, J.M, Carrascosa, J.L.
登録日2013-04-10
公開日2013-05-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (29 Å)
主引用文献Large Terminase Conformational Change Induced by Connector Binding in Bacteriophage T7
J.Biol.Chem., 288, 2013
1T27
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BU of 1t27 by Molmil
THE STRUCTURE OF PITP COMPLEXED TO PHOSPHATIDYLCHOLINE
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylinositol transfer protein alpha isoform
著者Yoder, M.D, Thomas, L.M, Tremblay, J.M, Oliver, R.L, Yarbrough, L.R, Helmkamp Jr, G.M.
登録日2004-04-20
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献STRUCTURE OF A MULTIFUNCTIONAL PROTEIN. MAMMALIAN PHOSPHATIDYLINOSITOL TRANSFER PROTEIN COMPLEXED WITH PHOSPHATIDYLCHOLINE
J.Biol.Chem., 276, 2001
4BIV
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BU of 4biv by Molmil
Crystal structure of CpxAHDC (trigonal form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, SENSOR PROTEIN CPXA
著者Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M.
登録日2013-04-13
公開日2014-02-12
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation.
Plos Biol., 12, 2014
4BD6
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BU of 4bd6 by Molmil
Bax domain swapped dimer in complex with BaxBH3
分子名称: APOPTOSIS REGULATOR BAX
著者Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
登録日2012-10-05
公開日2013-02-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4AZE
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BU of 4aze by Molmil
Human DYRK1A in complex with Leucettine L41
分子名称: 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A
著者Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S.
登録日2012-06-25
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
4AW0
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BU of 4aw0 by Molmil
Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket
分子名称: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ...
著者Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M.
登録日2012-05-30
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Chem.Biol., 19, 2012
4AZF
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BU of 4azf by Molmil
Human DYRK2 in complex with Leucettine L41
分子名称: 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ...
著者Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S.
登録日2012-06-25
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
4B88
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BU of 4b88 by Molmil
Ancestral (GNCA) Beta-lactamase class A
分子名称: BETA-LACTAMASE, FORMIC ACID
著者Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2012-08-24
公開日2013-02-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Hyperstability and Substrate Promiscuity in Laboratory Resurrections of Precambrian Beta-Lactamases.
J.Am.Chem.Soc., 135, 2013
4BKJ
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BU of 4bkj by Molmil
Crystal structure of the human DDR1 kinase domain in complex with imatinib
分子名称: 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-04-25
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
4BBB
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THE STRUCTURE OF VACCINIA VIRUS N1 Q61Y MUTANT
分子名称: N1L
著者Maluquer de Motes, C, Cooray, S, McGourty, K, Ren, H, Bahar, M.W, Stuart, D.I, Grimes, J.M, Graham, S.C, Smith, G.L.
登録日2012-09-21
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Inhibition of Apoptosis and NF-kappaB Activation by Vaccinia Protein N1 Occur Via Distinct Binding Surfaces and Make Different Contributions to Virulence.
Plos Pathog., 7, 2011
4AW1
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Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket
分子名称: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M.
登録日2012-05-30
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Chem.Biol., 19, 2012
1TEY
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BU of 1tey by Molmil
NMR structure of human histone chaperone, ASF1A
分子名称: ASF1 anti-silencing function 1 homolog A
著者Mousson, F, Lautrette, A, Thuret, J.Y, Agez, M, Amigues, B, Courbeyrette, R, Neumann, J.M, Guerois, R, Mann, C, Ochsenbein, F.
登録日2004-05-26
公開日2005-04-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural basis for the interaction of Asf1 with histone H3 and its functional implications.
Proc.Natl.Acad.Sci.Usa, 102, 2005
4BBD
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BU of 4bbd by Molmil
THE STRUCTURE OF VACCINIA VIRUS N1 R58Y MUTANT
分子名称: N1L
著者Maluquer de Motes, C, Cooray, S, McGourty, K, Ren, H, Bahar, M.W, Stuart, D.I, Grimes, J.M, Graham, S.C, Smith, G.L.
登録日2012-09-21
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Inhibition of Apoptosis and NF-kappaB Activation by Vaccinia Protein N1 Occur Via Distinct Binding Surfaces and Make Different Contributions to Virulence.
Plos Pathog., 7, 2011
3ZCS
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BU of 3zcs by Molmil
Rabbit muscle glycogen phosphorylase b in complex with N-(1-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.07 A resolution
分子名称: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ...
著者Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L.
登録日2012-11-21
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
3ZHP
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BU of 3zhp by Molmil
Human MST3 (STK24) in complex with MO25beta
分子名称: CALCIUM-BINDING PROTEIN 39-LIKE, SERINE/THREONINE-PROTEIN KINASE 24, SULFATE ION
著者Elkins, J.M, Szklarz, M, Krojer, T, Mehellou, Y, Alessi, D.R, Chaikaud, A, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2012-12-24
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Insights Into the Activation of Mst3 by Mo25.
Biochem.Biophys.Res.Commun., 431, 2013
3ZCV
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BU of 3zcv by Molmil
Rabbit muscle glycogen phosphorylase b in complex with N-(indol-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 1.8 A resolution
分子名称: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ...
著者Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L.
登録日2012-11-21
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
4B3K
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Family 1 6-phospho-beta-D glycosidase from Streptococcus pyogenes
分子名称: BETA-GLUCOSIDASE
著者Stepper, J, Dabin, J, Ekloef, J.M, Thongpoo, P, Kongsaeree, P.T, Taylor, E.J, Turkenburg, J.P, Brumer, H, Davies, G.J.
登録日2012-07-24
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Activity of the Streptococcus Pyogenes Family Gh1 6-Phospho Beta-Glycosidase Spy1599
Acta Crystallogr.,Sect.D, 69, 2013
4B6R
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Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
分子名称: (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2012-08-14
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013

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