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PDB: 1228 results

4TNK
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RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (5.2 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4RVY
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Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-11-29
Release date:2015-11-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
4RWB
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Racemic influenza M2-TM crystallized from monoolein lipidic cubic phase
Descriptor: Matrix protein 2, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T.
Deposit date:2014-12-02
Release date:2015-10-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
2TMN
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CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN
Descriptor: CALCIUM ION, N~2~-phosphono-L-leucinamide, Thermolysin, ...
Authors:Tronrud, D.E, Monzingo, A.F, Matthews, B.W.
Deposit date:1987-06-29
Release date:1989-01-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Eur.J.Biochem., 157, 1986
4RWC
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Racemic M2-TM crystallized from racemic detergent
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T.
Deposit date:2014-12-02
Release date:2015-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
7MYV
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Plasmodium falciparum HAD5/PMM
Descriptor: MAGNESIUM ION, Phosphomannomutase
Authors:Frasse, P.M, Odom John, A.R, Goldberg, D.E.
Deposit date:2021-05-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Enzymatic and structural characterization of HAD5, an essential phosphomannomutase of malaria-causing parasites.
J.Biol.Chem., 298, 2022
4TNH
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RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (4.900007 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TNL
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1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
7MFE
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BU of 7mfe by Molmil
Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved
Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION
Authors:Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
Deposit date:2021-04-09
Release date:2022-01-26
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
7MFF
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Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor
Descriptor: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
Authors:Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
Deposit date:2021-04-09
Release date:2022-01-26
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
7MFD
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BU of 7mfd by Molmil
Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved
Descriptor: 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ...
Authors:Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
Deposit date:2021-04-09
Release date:2022-01-26
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
7MYR
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BACE-1 in complex with compound #18
Descriptor: (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Hendle, J, Timm, D.E, Stout, S.L.
Deposit date:2021-05-21
Release date:2021-07-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYU
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BACE-1 in complex with compound #22
Descriptor: Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION
Authors:Hendle, J, Timm, D.E, Stout, S.L.
Deposit date:2021-05-21
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYI
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BACE-1 in complex with compound #6
Descriptor: (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL
Authors:Hendle, J, Timm, D.E, Stout, S.L.
Deposit date:2021-05-21
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
8C14
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Aurora A kinase in complex with TPX2-inhibitor 9
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1D
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Aurora A kinase in complex with TPX2-inhibitor 9
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ACETATE ION, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.115 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1H
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Aurora A kinase in complex with TPX2-inhibitor 8
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.233 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1M
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Aurora A kinase in complex with TPX2-inhibitor 2
Descriptor: 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1F
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Aurora A kinase in complex with TPX2-inhibitor 6
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1K
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Aurora A kinase in complex with TPX2-inhibitor CAM2602
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1G
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Aurora A kinase in complex with TPX2-inhibitor 7
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C15
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Aurora A kinase in complex with TPX2-inhibitor 3
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1E
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Aurora A kinase in complex with TPX2-inhibitor 9
Descriptor: 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
8C1I
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Aurora A kinase in complex with TPX2-inhibitor 10
Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ...
Authors:Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2022-12-20
Release date:2024-01-10
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
7OB1
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OLIGOPEPTIDASE B FROM S. PROTEOMACULANS WITH MODIFIED HINGE
Descriptor: Oligopeptidase B, SPERMINE
Authors:Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Korzhenevskiy, D.A, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I.
Deposit date:2021-04-20
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine.
Biology (Basel), 10, 2021

226707

數據於2024-10-30公開中

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