3RM6
 
 | | CDK2 in complex with inhibitor KVR-2-80 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-20 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3R8Z
 | | CDK2 in complex with inhibitor RC-1-136 | | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-24 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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3RAI
 | | CDK2 in complex with inhibitor KVR-1-160 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-28 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3R1Y
 | | CDK2 in complex with inhibitor KVR-1-134 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-11 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3R7Y
 | | CDK2 in complex with inhibitor KVR-2-88 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-23 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3R8U
 | | CDK2 in complex with inhibitor RC-1-132 | | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-24 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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2QFQ
 | | E. coli EPSP synthase Pro101Leu liganded with S3P | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | Authors: | Schonbrunn, E, Healy-Fried, M.L. | | Deposit date: | 2007-06-27 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
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8SV9
 | | Crystal structure of ULK1 kinase domain with inhibitor MR-2088 | | Descriptor: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Schonbrunn, E, Sun, L. | | Deposit date: | 2023-05-15 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties.
Eur.J.Med.Chem., 266, 2024
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2QFT
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2QFU
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2QFS
 | | E.coli EPSP synthase Pro101Ser liganded with S3P | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | Authors: | Schonbrunn, E, Healy-Fried, M.L. | | Deposit date: | 2007-06-28 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
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5F81
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2015-12-08 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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5TDC
 | | Crystal structure of the human UBR-box domain from UBR1 in complex with monomethylated arginine peptide. | | Descriptor: | E3 ubiquitin-protein ligase UBR1, NMM-ILE-PHE-SER peptide, SULFATE ION, ... | | Authors: | Kozlov, G, Munoz-Escobar, J, Matta-Camacho, E, Gehring, K. | | Deposit date: | 2016-09-19 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.607 Å) | | Cite: | Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
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5HL4
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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5HQD
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2016-01-21 | | Release date: | 2016-02-10 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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3KIN
 | | KINESIN (DIMERIC) FROM RATTUS NORVEGICUS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN | | Authors: | Kozielski, F, Sack, S, Marx, A, Thormahlen, M, Schonbrunn, E, Biou, V, Thompson, A, Mandelkow, E.-M, Mandelkow, E. | | Deposit date: | 1997-08-25 | | Release date: | 1998-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The crystal structure of dimeric kinesin and implications for microtubule-dependent motility.
Cell(Cambridge,Mass.), 91, 1997
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2KBW
 | | Solution Structure of human Mcl-1 complexed with human Bid_BH3 peptide | | Descriptor: | BH3-interacting domain death agonist, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Liu, Q, Moldoveanu, T, Sprules, T, Matta-Camacho, E, Mansur-Azzam, N, Gehring, K. | | Deposit date: | 2008-12-09 | | Release date: | 2009-12-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Apoptotic regulation by MCL-1 through heterodimerization.
J.Biol.Chem., 285, 2010
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3VCP
 | | The 2.2 Angstrom structure of Stc2 with proline bound in the active site | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, PROLINE, ... | | Authors: | Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N. | | Deposit date: | 2012-01-04 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
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3VCA
 | | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman and UV-visible Spectroscopic Analysis of a Rieske-type Demethylase | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | Authors: | Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N. | | Deposit date: | 2012-01-03 | | Release date: | 2012-02-08 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
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7SL6
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7SL7
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7SL2
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7SL3
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7SL4
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7SL1
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