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8WF4
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BU of 8wf4 by Molmil
The Crystal Structure of RSK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Ribosomal protein S6 kinase alpha-1
Authors:Wang, F, Cheng, W, Lv, Z, Qi, J, Li, J.
Deposit date:2023-09-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Crystal Structure of RSK1 from Biortus.
To Be Published
8JUP
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BU of 8jup by Molmil
Crystal structure of a receptor like kinase from rice
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, LRR receptor-like serine/threonine-protein kinase FLS2, MAGNESIUM ION
Authors:Ming, Z, Zhao, Q.
Deposit date:2023-06-27
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An Active State Formation Mechanism of Receptor Kinase in Plant
Plant Commun., 2024
8JUV
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BU of 8juv by Molmil
Crystal structure of a receptor like kinase with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, LRR receptor-like serine/threonine-protein kinase FLS2, MAGNESIUM ION
Authors:Ming, Z, Zhao, Q.
Deposit date:2023-06-27
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:An active State Formation Mechanism of Receptor Kinase in Plant
Plant Commun., 2024
8WJY
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BU of 8wjy by Molmil
PKMYT1_Cocrystal_Cpd 4
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
Authors:Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
8WGF
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BU of 8wgf by Molmil
The Crystal Structure of JNK3 from Biortus.
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J.
Deposit date:2023-09-21
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of JNK3 from Biortus.
To Be Published
8JF4
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The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9
Descriptor: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A
Authors:Zhu, C.J.
Deposit date:2023-05-17
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89288354 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8X5Z
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BU of 8x5z by Molmil
The Crystal Structure of PAK1 kinase domain from Biortus.
Descriptor: Serine/threonine-protein kinase PAK 1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2023-11-20
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of PAK1 kinase domain from Biortus.
To Be Published
5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Descriptor: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2017-06-13
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
5W5Q
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BU of 5w5q by Molmil
MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide)
Descriptor: (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Harris, S.F, Wu, P.
Deposit date:2017-06-15
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
8X88
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BU of 8x88 by Molmil
The Crystal Structure of TNIK from Biortus.
Descriptor: TRAF2 and NCK-interacting protein kinase
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y.
Deposit date:2023-11-27
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of TNIK from Biortus.
To Be Published
8X72
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BU of 8x72 by Molmil
The Crystal Structure of PLK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Wu, B.
Deposit date:2023-11-22
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of PLK1 from Biortus.
To Be Published
8T2H
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BU of 8t2h by Molmil
DYRK1A complex with DYR530
Descriptor: (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL, ...
Authors:Montfort, W.R, Basantes, L.E.
Deposit date:2023-06-06
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of DYR684, a Potent, Selective, Metabolically Stable, DYRK1A/B PROTAC utilizing a Novel Cereblon Molecular Glue
To Be Published
8X23
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BU of 8x23 by Molmil
The Crystal Structure of MAPK13 from Biortus.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2023-11-09
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of MAPK13 from Biortus.
To Be Published
8XFM
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BU of 8xfm by Molmil
The Crystal Structure of MNK2 from Biortus.
Descriptor: 1,2-ETHANEDIOL, 5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one, MAP kinase-interacting serine/threonine-protein kinase 2, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-12-14
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of MNK2 from Biortus.
To Be Published
8X5L
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BU of 8x5l by Molmil
The Crystal Structure of PRKACA from Biortus.
Descriptor: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
Deposit date:2023-11-17
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of PRKACA from Biortus.
To Be Published
5WNM
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BU of 5wnm by Molmil
Crystal structure of murine receptor-interacting protein 4 (Ripk4) D143N bound to tozasertib (VX-680)
Descriptor: CHLORIDE ION, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Receptor-interacting serine/threonine-protein kinase 4
Authors:Huang, C.S, Hymowitz, S.G.
Deposit date:2017-08-01
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
8X5M
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BU of 8x5m by Molmil
The Crystal Structure of JNK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, GLYCEROL, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-11-17
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of JNK1 from Biortus.
To Be Published
8XN6
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BU of 8xn6 by Molmil
The Crystal Structure of GSK3b from Biortus.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glycogen synthase kinase-3 beta, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B.
Deposit date:2023-12-29
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of GSK3b from Biortus.
To Be Published
5X1R
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BU of 5x1r by Molmil
PpkA-294 apo form
Descriptor: PpkA-294
Authors:Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2017-01-26
Release date:2018-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
8U2O
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BU of 8u2o by Molmil
Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor TCMDC-123995
Descriptor: CHLORIDE ION, GLYCEROL, N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor TCMDC-123995
To be published
8XU4
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BU of 8xu4 by Molmil
The Crystal Structure of MAPK2 from Biortus.
Descriptor: MALONIC ACID, MAP kinase-activated protein kinase 2
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z.
Deposit date:2024-01-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Crystal Structure of MAPK2 from Biortus.
To Be Published
8XPZ
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BU of 8xpz by Molmil
The Crystal Structure of TTBK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Tau-tubulin kinase 1
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Ni, C.
Deposit date:2024-01-04
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of TTBK1 from Biortus.
To Be Published
8JG8
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BU of 8jg8 by Molmil
The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
Descriptor: 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-05-19
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.90002346 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
5WE8
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BU of 5we8 by Molmil
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
Descriptor: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-07
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
5WJJ
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
Descriptor: Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide
Authors:Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
Deposit date:2017-07-23
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018

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數據於2024-05-29公開中

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