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3R8L
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BU of 3r8l by Molmil
CDK2 in complex with inhibitor L3-4
分子名称: (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RMF
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BU of 3rmf by Molmil
CDK2 in complex with inhibitor RC-2-33
分子名称: 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-20
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R8P
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BU of 3r8p by Molmil
CDK2 in complex with inhibitor NSK-MC1-6
分子名称: (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
4E2S
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BU of 4e2s by Molmil
Crystal structure of (S)-Ureidoglycine Aminohydrolase from Arabidopsis thaliana in complex with its substrate, (S)-Ureidoglycine
分子名称: (2S)-amino(carbamoylamino)ethanoic acid, MANGANESE (II) ION, Ureidoglycine aminohydrolase
著者Shin, I, Rhee, S.
登録日2012-03-09
公開日2012-04-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural and functional insights into (S)-ureidoglycine aminohydrolase, key enzyme of purine catabolism in Arabidopsis thaliana
J.Biol.Chem., 287, 2012
4GW8
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BU of 4gw8 by Molmil
Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41
分子名称: 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ...
著者Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-09-01
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectivity, cocrystal 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
3FZ1
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BU of 3fz1 by Molmil
Crystal structure of a benzthiophene inhibitor bound to human Cyclin-dependent Kinase-2 (CDK-2)
分子名称: (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, Cell division protein kinase 2
著者Kurumbail, R.G, Caspers, N.
登録日2009-01-23
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
4HA8
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BU of 4ha8 by Molmil
Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene
分子名称: (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Biotin-[acetyl-CoA-carboxylase] ligase
著者Yap, M, Wilce, M, Polyak, S, Soares da Costa, T, Tieu, W.
登録日2012-09-25
公開日2013-10-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of Staphylococcus aureus biotin protein ligase in complex with biotin acetylene
To be Published
3QQG
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BU of 3qqg by Molmil
CDK2 in complex with inhibitor L2-5
分子名称: 1,2-ETHANEDIOL, 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol, Cyclin-dependent kinase 2, ...
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-02-15
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
4GXO
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BU of 4gxo by Molmil
Crystal structure of Staphylococcus aureus protein SarZ mutant C13E
分子名称: GLYCEROL, MarR family regulatory protein
著者Sun, F, Ding, Y, Ji, Q, Liang, Z, Deng, X, Wong, C.C, Yi, C, Zhang, L, Xie, S, Alvarez, S, Hicks, L.M, Luo, C, Jiang, H, Lan, L, He, C.
登録日2012-09-04
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
3QHR
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BU of 3qhr by Molmil
Structure of a pCDK2/CyclinA transition-state mimic
分子名称: ADENOSINE-5'-DIPHOSPHATE, CDK2 substrate peptide: PKTPKKAKKL, CHLORIDE ION, ...
著者Young, M.A, Jacobsen, D.M, Bao, Z.Q.
登録日2011-01-26
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Briefly Bound to Activate: Transient Binding of a Second Catalytic Magnesium Activates the Structure and Dynamics of CDK2 Kinase for Catalysis.
Structure, 19, 2011
3R9N
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BU of 3r9n by Molmil
CDK2 in complex with inhibitor RC-2-21
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-25
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3ROY
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BU of 3roy by Molmil
CDK2 in complex with inhibitor KVR-1-154
分子名称: 1,2-ETHANEDIOL, 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-26
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-22
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RK7
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BU of 3rk7 by Molmil
CDK2 in complex with inhibitor RC-2-71
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-17
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R8M
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BU of 3r8m by Molmil
CDK2 in complex with inhibitor L3-3
分子名称: 1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2, PHOSPHATE ION
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
4QFV
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BU of 4qfv by Molmil
Crystal structure of a unique ankyrin
分子名称: ACETATE ION, ANK-N5C-281
著者Ethayathulla, A.S, Tikhonova, E.B, Guan, L.
登録日2014-05-21
公開日2015-05-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献A transcription blocker isolated from a designed repeat protein combinatorial library by in vivo functional screen.
Sci Rep, 5, 2015
2UYF
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BU of 2uyf by Molmil
Single mutant F111L DntR from Burkholderia sp. strain DNT in complex with thiocyanate
分子名称: ACETATE ION, GLYCEROL, REGULATORY PROTEIN, ...
著者Lonneborg, R, Smirova, I, Dian, C, Leonard, G.A, Mcsweeney, S, Brzezinski, P.
登録日2007-04-04
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献In Vivo and in Vitro Investigation of Transcriptional Regulation by Dntr.
J.Mol.Biol., 372, 2007
3RKB
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BU of 3rkb by Molmil
CDK2 in complex with inhibitor RC-2-73
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-17
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3S0O
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BU of 3s0o by Molmil
CDK2 in complex with inhibitor RC-1-138
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-05-13
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3S1H
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BU of 3s1h by Molmil
CDK2 in complex with inhibitor RC-2-39
分子名称: 4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-05-15
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
5OM5
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BU of 5om5 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo1: an allosterically triggered drug-binding serpin for doxycycline
分子名称: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM2
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Crystal structure of Alpha1-antichymotrypsin variant DBS-I1: a drug-binding serpin for doxycycline
分子名称: (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5M15
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BU of 5m15 by Molmil
Synthetic nanobody in complex with MBP
分子名称: Maltose-binding periplasmic protein, Synthetic nanobody L2_D09, (a-MBP#3)
著者Zimmermann, I, Egloff, P, Seeger, M.A.
登録日2016-10-07
公開日2017-11-15
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthetic single domain antibodies for the conformational trapping of membrane proteins.
Elife, 7, 2018
7OPE
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BU of 7ope by Molmil
RqcH DR variant bound to 50S-peptidyl-tRNA-RqcP RQC complex (rigid body refinement)
分子名称: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
著者Crowe-McAuliffe, C, Wilson, D.N.
登録日2021-05-31
公開日2021-07-21
最終更新日2021-09-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献RqcH and RqcP catalyze processive poly-alanine synthesis in a reconstituted ribosome-associated quality control system.
Nucleic Acids Res., 49, 2021
5LFZ
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BU of 5lfz by Molmil
T48 deacetylase
分子名称: ArCE4A, NICKEL (II) ION
著者Rothweiler, U.
登録日2016-07-05
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献Structure and function of a CE4 deacetylase isolated from a marine environment.
PLoS ONE, 12, 2017

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