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3R28
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BU of 3r28 by Molmil
CDK2 in complex with inhibitor KVR-1-140
Descriptor: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-14
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RM6
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BU of 3rm6 by Molmil
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
7QC5
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BU of 7qc5 by Molmil
Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound
Descriptor: (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone, Transthyretin
Authors:Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
Deposit date:2021-11-22
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation.
J.Med.Chem., 65, 2022
3QQF
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BU of 3qqf by Molmil
CDK2 in complex with inhibitor L1
Descriptor: 1,2-ETHANEDIOL, 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:2011-02-15
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
5T2O
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BU of 5t2o by Molmil
Engineered variant of I-OnuI meganuclease targeting the Anopheles AGAP011377 gene; harbors 53 point mutations relative to wild-type I-OnuI
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-ag011377
Authors:Stoddard, B.L, Werther, R.
Deposit date:2016-08-23
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Crystallographic analyses illustrate significant plasticity and efficient recoding of meganuclease target specificity.
Nucleic Acids Res., 45, 2017
3QL8
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BU of 3ql8 by Molmil
CDK2 in complex with inhibitor JWS-6-260
Descriptor: 1,2-ETHANEDIOL, 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-02
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
5T2H
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BU of 5t2h by Molmil
Engineered variant of I-OnuI meganuclease targeting the Human TCRa gene; harbors 43 point mutations relative to wild-type I-OnuI
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hTCRa
Authors:Stoddard, B.L, Werther, R.
Deposit date:2016-08-23
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.517 Å)
Cite:Crystallographic analyses illustrate significant plasticity and efficient recoding of meganuclease target specificity.
Nucleic Acids Res., 45, 2017
5T2N
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BU of 5t2n by Molmil
Engineered variant of I-OnuI meganuclease targeting the Anopheles AGAP007280 gene; harbors 38 point mutations relative to wild-type I-OnuI
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-ag007820
Authors:Stoddard, B.L, Werther, R.
Deposit date:2016-08-23
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Crystallographic analyses illustrate significant plasticity and efficient recoding of meganuclease target specificity.
Nucleic Acids Res., 45, 2017
3R8L
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BU of 3r8l by Molmil
CDK2 in complex with inhibitor L3-4
Descriptor: (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-24
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
3R8P
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BU of 3r8p by Molmil
CDK2 in complex with inhibitor NSK-MC1-6
Descriptor: (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-24
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
3ROY
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BU of 3roy by Molmil
CDK2 in complex with inhibitor KVR-1-154
Descriptor: 1,2-ETHANEDIOL, 4-(hexylamino)-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:2011-04-26
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QXO
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BU of 3qxo by Molmil
CDK2 in complex with inhibitor KVR-1-84
Descriptor: 1,2-ETHANEDIOL, 5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-02
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QRU
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BU of 3qru by Molmil
CDK2 in complex with inhibitor NSK-MC1-12
Descriptor: (5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-18
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QZG
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BU of 3qzg by Molmil
CDK2 in complex with inhibitor JWS-6-76
Descriptor: 1,2-ETHANEDIOL, 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-06
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QQH
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BU of 3qqh by Molmil
CDK2 in complex with inhibitor L2-2
Descriptor: 1,2-ETHANEDIOL, 2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol, Cyclin-dependent kinase 2, ...
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-15
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3QRT
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BU of 3qrt by Molmil
CDK2 in complex with inhibitor NSK-MC2-55
Descriptor: (5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-18
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R7E
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BU of 3r7e by Molmil
CDK2 in complex with inhibitor KVR-1-67
Descriptor: 1,2-ETHANEDIOL, 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-22
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
3R8M
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BU of 3r8m by Molmil
CDK2 in complex with inhibitor L3-3
Descriptor: 1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2, PHOSPHATE ION
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-24
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
6CZQ
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BU of 6czq by Molmil
A V-to-F substitution in SK2 channels causes Ca2+ hypersensitivity and improves locomotion in a C. elegans ALS model
Descriptor: CALCIUM ION, Calmodulin-1, SULFATE ION, ...
Authors:Nam, Y.W, Zhang, M.
Deposit date:2018-04-09
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A V-to-F substitution in SK2 channels causes Ca2+hypersensitivity and improves locomotion in a C. elegans ALS model.
Sci Rep, 8, 2018
3RM7
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BU of 3rm7 by Molmil
CDK2 in complex with inhibitor KVR-1-91
Descriptor: 1,2-ETHANEDIOL, 2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide, 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 (1.85 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R1S
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BU of 3r1s by Molmil
CDK2 in complex with inhibitor KVR-1-127
Descriptor: 1,2-ETHANEDIOL, 2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide, 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
3R1Q
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BU of 3r1q by Molmil
CDK2 in complex with inhibitor KVR-1-102
Descriptor: 1,2-ETHANEDIOL, 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide, 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 (1.85 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R7I
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BU of 3r7i by Molmil
CDK2 in complex with inhibitor KVR-1-74
Descriptor: 1,2-ETHANEDIOL, 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-22
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R73
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BU of 3r73 by Molmil
CDK2 in complex with inhibitor KVR-1-164
Descriptor: 1,2-ETHANEDIOL, 4-[(3-aminopropyl)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:2011-03-22
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
3R1Y
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BU of 3r1y by Molmil
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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數據於2024-07-31公開中

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