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7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
Descriptor: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
Descriptor: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
Descriptor: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-17
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.679 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
Descriptor: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-16
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-20
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
6VAC
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BU of 6vac by Molmil
Mouse retromer (VPS26/VPS35/VPS29) heterotrimer
Descriptor: Vacuolar protein sorting-associated protein 26A, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35
Authors:Kendall, A.K, Jackson, L.P.
Deposit date:2019-12-17
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Mammalian Retromer Is an Adaptable Scaffold for Cargo Sorting from Endosomes.
Structure, 28, 2020
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-26
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
6LMR
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BU of 6lmr by Molmil
Solution structure of cold shock domain and ssDNA complex
Descriptor: DNA (5'-D(P*AP*AP*CP*AP*CP*CP*T)-3'), Y-box-binding protein 1
Authors:Fan, J, Yang, D.
Deposit date:2019-12-26
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation.
Nucleic Acids Res., 48, 2020
6VII
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BU of 6vii by Molmil
Crystal structure of mouse RABL3 in complex with GTPgammaS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VPR
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BU of 6vpr by Molmil
Crystal structure of the C-terminal domain of DENR
Descriptor: ACETATE ION, Density-regulated protein, L(+)-TARTARIC ACID, ...
Authors:Lomakin, I.B, Steitz, T.A.
Deposit date:2020-02-04
Release date:2020-04-08
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the C-terminal domain of DENR.
Comput Struct Biotechnol J, 18, 2020
1ELO
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BU of 1elo by Molmil
ELONGATION FACTOR G WITHOUT NUCLEOTIDE
Descriptor: ELONGATION FACTOR G
Authors:Aevarsson, A, Brazhnikov, E, Garber, M, Zheltonosova, J, Chirgadze, Yu, Al-Karadaghi, S, Svensson, L.A, Liljas, A.
Deposit date:1996-03-13
Release date:1996-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of the ribosomal translocase: elongation factor G from Thermus thermophilus.
EMBO J., 13, 1994
6VIK
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BU of 6vik by Molmil
Crystal structure of mouse xm RABL3 in complex with GTPgammsS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VIH
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BU of 6vih by Molmil
The ligand-free structure of mouse RABL3
Descriptor: Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VIJ
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BU of 6vij by Molmil
Crystal structure of mouse RABL3 in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VPQ
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BU of 6vpq by Molmil
Crystal structure of the C-terminal domain of DENR
Descriptor: ACETATE ION, CALCIUM ION, Density-regulated protein, ...
Authors:Lomakin, I.B, Steitz, T.A.
Deposit date:2020-02-04
Release date:2020-04-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of the C-terminal domain of DENR.
Comput Struct Biotechnol J, 18, 2020
9BHJ
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BU of 9bhj by Molmil
MerTK in complex with small molecule 6-{1-[([1,1'-biphenyl]-4-yl)carbamoyl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
Descriptor: 6-{1-[([1,1'-biphenyl]-4-yl)carbamoyl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
Authors:Jakob, C.G, Qiu, W.
Deposit date:2024-04-20
Release date:2024-10-09
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Discovery of Potent Azetidine-Benzoxazole MerTK Inhibitors with In Vivo Target Engagement.
J.Med.Chem., 2024
9BHK
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BU of 9bhk by Molmil
MerTK in complex with small molecule inhibitor 6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
Descriptor: 6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
Authors:Jakob, C.G, Gurbani, D, Qiu, W.
Deposit date:2024-04-20
Release date:2024-10-09
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Discovery of Potent Azetidine-Benzoxazole MerTK Inhibitors with In Vivo Target Engagement.
J.Med.Chem., 2024
6WIO
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BU of 6wio by Molmil
Fab antigen complex
Descriptor: Fab Heavy chain, Fab Light chain, Interleukin-17A
Authors:Antonysamy, S.
Deposit date:2020-04-10
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
5Z5K
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BU of 5z5k by Molmil
Structure of the DCC-Draxin complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Draxin, ...
Authors:Liu, Y, Xiao, J, Wang, J.
Deposit date:2018-01-18
Release date:2018-06-20
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structural Basis for Draxin-Modulated Axon Guidance and Fasciculation by Netrin-1 through DCC.
Neuron, 97, 2018
2OUJ
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BU of 2ouj by Molmil
The crystal structure of the Thrombospondin-1 N-terminal domain in complex with fractionated Heparin DP8
Descriptor: Thrombospondin-1
Authors:Tan, K, Joachimiak, A, Wang, J, Lawler, J.
Deposit date:2007-02-11
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain.
J.Biol.Chem., 283, 2008
1CYF
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BU of 1cyf by Molmil
IDENTIFYING THE PHYSIOLOGICAL ELECTRON TRANSFER SITE OF CYTOCHROME C PEROXIDASE BY STRUCTURE-BASED ENGINEERING
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Miller, M.A, Han, G.W, Kraut, J.
Deposit date:1995-07-03
Release date:1995-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identifying the physiological electron transfer site of cytochrome c peroxidase by structure-based engineering.
Biochemistry, 35, 1996
7DG4
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BU of 7dg4 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
Descriptor: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-10
Release date:2021-11-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
2OUH
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BU of 2ouh by Molmil
Crystal structure of the Thrombospondin-1 N-terminal domain in complex with fractionated Heparin DP10
Descriptor: SULFATE ION, Thrombospondin-1
Authors:Tan, K, Joachimiak, A, Wang, J, Lawler, J.
Deposit date:2007-02-11
Release date:2008-01-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain.
J.Biol.Chem., 283, 2008
4Q1C
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BU of 4q1c by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol}
Descriptor: 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1F
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BU of 4q1f by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide}
Descriptor: Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014

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