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6EIV
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BU of 6eiv by Molmil
DYRK1A in complex with JWD-065
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
7XPQ
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BU of 7xpq by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-GlcNAc
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Chen, Y.H, Wang, X.C, Zhang, C.R.
Deposit date:2022-05-05
Release date:2023-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPO
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BU of 7xpo by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
Authors:Chen, Y.H, Wang, X.C, Zhang, C.R.
Deposit date:2022-05-05
Release date:2023-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPP
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BU of 7xpp by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
Authors:Chen, Y.H, Wang, X.C, Zhang, C.R.
Deposit date:2022-05-05
Release date:2023-05-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
6EIR
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BU of 6eir by Molmil
DYRK1A in complex with XMD15-27-2
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIQ
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BU of 6eiq by Molmil
DYRK1A in complex with XMD14-124
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIS
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BU of 6eis by Molmil
DYRK1A in complex with JWC-055
Descriptor: 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIP
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BU of 6eip by Molmil
DYRK1A in complex with XMD8-62e
Descriptor: 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EJ4
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BU of 6ej4 by Molmil
DYRK1A in complex with XMD7-112
Descriptor: 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Rothweiler, U.
Deposit date:2017-09-20
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIL
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BU of 6eil by Molmil
DYRK1A in complex with XMD8-49
Descriptor: DYRK1A, [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.465 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIF
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BU of 6eif by Molmil
DYRK1A in complex with XMD7-117
Descriptor: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIJ
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BU of 6eij by Molmil
DYRK1A in complex with HG-8-60-1
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6E6E
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BU of 6e6e by Molmil
DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
Descriptor: N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Gurbani, D, Bera, A, Westover, K.
Deposit date:2018-07-24
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-25
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
7D3D
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BU of 7d3d by Molmil
Crystal structure of SPOP bound with a peptide
Descriptor: GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein
Authors:Yang, C.-G, Gan, J.H.
Deposit date:2020-09-18
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells.
Chin.J.Chem., 39, 2021
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-26
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
5C74
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BU of 5c74 by Molmil
Structure of a novel protein arginine methyltransferase
Descriptor: NICKEL (II) ION, Protein arginine N-methyltransferase SFM1, SULFATE ION
Authors:Lv, F, Ding, J.
Deposit date:2015-06-24
Release date:2016-01-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for Sfm1 functioning as a protein arginine methyltransferase.
Cell Discov, 1, 2015
6J4A
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BU of 6j4a by Molmil
Human H chain ferritin with an extension peptide
Descriptor: Ferritin heavy chain
Authors:Zhang, X, Zang, J, Zhou, K, Zhao, G.
Deposit date:2019-01-08
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.99 Å)
Cite:Thermostability of protein nanocages: the effect of natural extra peptide on the exterior surface
Rsc Adv, 9, 2019
6J4M
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BU of 6j4m by Molmil
Thermal treated soybean seed H-2 ferritin
Descriptor: Ferritin, MAGNESIUM ION
Authors:Zhang, X, Zang, J, Chen, H, Zhou, K, Zhao, G.
Deposit date:2019-01-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Thermostability of protein nanocages: the effect of natural extra peptide on the exterior surface.
Rsc Adv, 9, 2019
6J4J
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BU of 6j4j by Molmil
soybean seed H-2 ferritin
Descriptor: Ferritin, MAGNESIUM ION
Authors:Zhang, X, Zang, J, Chen, H, Zhao, G.
Deposit date:2019-01-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Thermostability of protein nanocages: the effect of natural extra peptide on the exterior surface.
Rsc Adv, 9, 2019
4GRB
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BU of 4grb by Molmil
Casein kinase 2 (CK2) bound to inhibitor
Descriptor: 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Larsen, N.A, Dowling, J.E, Ferguson, A.D.
Deposit date:2012-08-24
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.
ACS Med Chem Lett, 4, 2013
5ZVB
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BU of 5zvb by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dT9)
Descriptor: APEBEC3F/ssDNA-T9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*T)-3'), ...
Authors:Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
Deposit date:2018-05-09
Release date:2018-11-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
5ZVA
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BU of 5zva by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dC9)
Descriptor: APEBEC3F/ssDNA-C9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*CP*T)-3'), ...
Authors:Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
Deposit date:2018-05-09
Release date:2018-11-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
4R9D
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BU of 4r9d by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.9, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4R9C
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BU of 4r9c by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015

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數據於2024-05-29公開中

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