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2J4S
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P450 BM3 heme domain in complex with DMSO
分子名称: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U.
登録日2006-09-05
公開日2007-05-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
2J50
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Structure of Aurora-2 in complex with PHA-739358
分子名称: N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION
著者Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P.
登録日2006-09-08
公開日2006-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49, 2006
2IHL
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BU of 2ihl by Molmil
LYSOZYME (E.C.3.2.1.17) (JAPANESE QUAIL)
分子名称: JAPANESE QUAIL EGG WHITE LYSOZYME, SODIUM ION
著者Houdusse, A, Bentley, G.A, Poljak, R.J, Souchon, H, Zhang, Z.
登録日1993-06-29
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Three-dimensional structure of a heteroclitic antigen-antibody cross-reaction complex.
Proc.Natl.Acad.Sci.Usa, 90, 1993
2P8O
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Crystal Structure of a Benzohydroxamic Acid/Vanadate complex bound to chymotrypsin A
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Moulin, A, Bell, J.H, Pratt, R.F, Ringe, D.
登録日2007-03-22
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition of chymotrypsin by a complex of ortho-vanadate and benzohydroxamic Acid: structure of the inert complex and its mechanistic interpretation.
Biochemistry, 46, 2007
2JM8
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R21A Spc-SH3 free
分子名称: Spectrin alpha chain, brain
著者van Nuland, N.A.J, Casares, S, Ab, E, Eshuis, H, Lopez-Mayorga, O, Conejero-Lara, F.
登録日2006-10-25
公開日2007-04-24
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3
Bmc Struct.Biol., 7, 2007
2PE2
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BU of 2pe2 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX
分子名称: 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517.
Bioorg.Med.Chem.Lett., 17, 2007
2PEE
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Crystal Structure of a Thermophilic Serpin, Tengpin, in the Native State
分子名称: GLYCEROL, SULFATE ION, Serine protease inhibitor
著者Zhang, Q.W, Buckle, A.M, Whisstock, J.C.
登録日2007-04-02
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The N terminus of the serpin, tengpin, functions to trap the metastable native state.
Embo Rep., 8, 2007
2OSN
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An alternate description of a crystal structure of phospholipase A2 from Bungarus caeruleus
分子名称: CHLORIDE ION, Phospholipase A2 isoform 3
著者Stenkamp, R.E, Le Trong, I.
登録日2007-02-06
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternate description of two crystal structures of phospholipase A(2) from Bungarus caeruleus.
Acta Crystallogr.,Sect.D, 63, 2007
2OTH
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Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution
分子名称: 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, ACETONITRILE, INDOMETHACIN, ...
著者Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-02-08
公開日2007-02-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution
To be Published
2OUA
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Crystal Structure of Nocardiopsis Protease (NAPase)
分子名称: 1,4-DIETHYLENE DIOXIDE, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, GLYCEROL, ...
著者Kelch, B.A, Agard, D.A.
登録日2007-02-09
公開日2007-02-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and mechanistic exploration of Acid resistance: kinetic stability facilitates evolution of extremophilic behavior
J.Mol.Biol., 368, 2007
2OXD
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BU of 2oxd by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors
分子名称: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Casein kinase II subunit alpha
著者Battistutta, R, Zanotti, G, Cendron, L.
登録日2007-02-20
公開日2007-09-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2OYF
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Crystal Structure of the complex of phospholipase A2 with indole acetic acid at 1.2 A resolution
分子名称: 1H-INDOL-3-YLACETIC ACID, ACETIC ACID, Phospholipase A2 VRV-PL-VIIIa, ...
著者Kumar, S, Hariprasad, G, Singh, N, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P.
登録日2007-02-22
公開日2007-03-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structure of the complex of phospholipase A2 with indole acetic acid at 1.2 A resolution
To be Published
7YU4
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Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, focused on receptor
分子名称: Lysophosphatidic acid receptor 1, [(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
著者Akasaka, H, Shihoya, W, Nureki, O.
登録日2022-08-16
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
2P6Z
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BU of 2p6z by Molmil
Enzymatic and Structural Characterisation of Amphinase, a Novel Cytotoxic Ribonuclease from Rana pipiens Oocytes
分子名称: CITRIC ACID, Recombinant Amphinase-2, SODIUM ION
著者Singh, U.P.
登録日2007-03-19
公開日2007-05-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Enzymatic and Structural Characterisation of Amphinase, a Novel Cytotoxic Ribonuclease from Rana pipiens Oocytes.
J.Mol.Biol., 371, 2007
2P83
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Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1
分子名称: Beta-secretase 1, N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE, PHOSPHATE ION
著者Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J.
登録日2007-03-21
公開日2007-06-19
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent and selective isophthalamide S(2) hydroxyethylamine inhibitors of BACE1.
Bioorg.Med.Chem.Lett., 17, 2007
2F7X
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BU of 2f7x by Molmil
Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine
分子名称: (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ...
著者Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L.
登録日2005-12-01
公開日2006-06-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
2F2V
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BU of 2f2v by Molmil
alpha-spectrin SH3 domain A56G mutant
分子名称: FORMIC ACID, Spectrin alpha chain, brain
著者Camara-Artigas, A, Conejero-Lara, F, Casares, S, Lopez-Mayorga, O, Vega, C.
登録日2005-11-18
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cooperative propagation of local stability changes from low-stability and high-stability regions in a SH3 domain
Proteins, 67, 2007
2F9G
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Crystal structure of Fus3 phosphorylated on Tyr182
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitogen-activated protein kinase FUS3
著者Bhattacharyya, R.P, Remenyi, A, Good, M.C, Bashor, C.J, Falick, A.M, Lim, W.A.
登録日2005-12-05
公開日2006-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Ste5 scaffold allosterically modulates signaling output of the yeast mating pathway.
Science, 311, 2006
2NP8
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Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors
分子名称: N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE, SULFATE ION, Serine/threonine-protein kinase 6
著者Tari, L.W, Hoffman, I.D, Bensen, D.C, Hunter, M.J, Nix, J, Nelson, K.J, McRee, D.E, Swanson, R.V.
登録日2006-10-26
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2FD3
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Crystal Structure of Thioredoxin Mutant P34H
分子名称: Thioredoxin 1
著者Gavira, J.A, Perez-Jimenez, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2005-12-13
公開日2005-12-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Thioredoxin Mutant P34H
To be Published
2FDA
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BU of 2fda by Molmil
Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand
分子名称: BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ...
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-12-13
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
2FF7
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The ABC-ATPase of the ABC-transporter HlyB in the ADP bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB
著者Zaitseva, J, Oswald, C, Jumpertz, T, Jenewein, S, Holland, I.B, Schmitt, L.
登録日2005-12-19
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structural analysis of asymmetry required for catalytic activity of an ABC-ATPase domain dimer.
Embo J., 25, 2006
2N9U
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Solution NMR structure of Erythrobacter litoralis PhyR response regulator REC domain
分子名称: Response regulator
著者Correa, F, Gardner, K.H.
登録日2015-12-09
公開日2016-09-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Basis of Mutual Domain Inhibition in a Bacterial Response Regulator.
Cell Chem Biol, 23, 2016
4LG4
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Structural Basis for Autoactivation of Human Mst2 Kinase and Its Regulation by RASSF5
分子名称: GLYCEROL, Serine/threonine-protein kinase 3
著者Luo, X, Ni, L, Tomchick, D.R.
登録日2013-06-27
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis for Autoactivation of Human Mst2 Kinase and Its Regulation by RASSF5.
Structure, 21, 2013
2NND
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The Structural Identification of the Interaction Site and Functional State of RBP for its Membrane Receptor
分子名称: 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, Major urinary protein 2
著者Redondo, C, Bingham, R.J, Vouropoulou, M, Homans, S.W, Findlay, J.B.
登録日2006-10-24
公開日2007-10-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of the retinol-binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor.
Faseb J., 22, 2008

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