3HI6
 
 | |
4G73
 | | Crystal structure of NDH with NADH and Quinone | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Li, W, Feng, Y, Ge, J, Yang, M. | | Deposit date: | 2012-07-19 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.522 Å) | | Cite: | Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
|
|
1VB0
 | | Atomic resolution structure of atratoxin-b, one short-chain neurotoxin from Naja atra | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cobrotoxin b, SULFATE ION | | Authors: | Lou, X, Liu, Q, Teng, M, Niu, L, Huang, Q, Hao, Q. | | Deposit date: | 2004-02-20 | | Release date: | 2004-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | The atomic resolution crystal structure of atratoxin determined by single wavelength anomalous diffraction phasing
J.Biol.Chem., 279, 2004
|
|
1HVU
 | |
7F2O
 | |
5Z5K
 | | 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
|
|
8XAB
 | |
8X77
 | | Enterovirus proteinase with host factor | | Descriptor: | 2A protein, Actin-histidine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Gao, X, Cui, S. | | Deposit date: | 2023-11-23 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction.
Nat Commun, 15, 2024
|
|
8X8Q
 | | Structure of enterovirus protease in complex host factor | | Descriptor: | 2A protein (Fragment), Actin-histidine N-methyltransferase, ZINC ION | | Authors: | Gao, X, Cui, S. | | Deposit date: | 2023-11-28 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction.
Nat Commun, 15, 2024
|
|
6EIR
 | | 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
 | | 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
|
|
3J9K
 | | Structure of Dark apoptosome in complex with Dronc CARD domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Apaf-1 related killer DARK, Caspase Nc | | Authors: | Pang, Y, Bai, X, Yan, C, Hao, Q, Chen, Z, Wang, J, Scheres, S.H.W, Shi, Y. | | Deposit date: | 2015-02-04 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the apoptosome: mechanistic insights into activation of an initiator caspase from Drosophila.
Genes Dev., 29, 2015
|
|
3J9L
 | | Structure of Dark apoptosome from Drosophila melanogaster | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK | | Authors: | Pang, Y, Bai, X, Yan, C, Hao, Q, Chen, Z, Wang, J, Scheres, S.H.W, Shi, Y. | | Deposit date: | 2015-02-04 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of the apoptosome: mechanistic insights into activation of an initiator caspase from Drosophila.
Genes Dev., 29, 2015
|
|
6CHZ
 | | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
|
|
6EIP
 | | 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
 | | 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
|
|
6M0K
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | Deposit date: | 2020-02-22 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
|
|
4LGI
 | | N-terminal truncated NleC structure | | Descriptor: | Uncharacterized protein | | Authors: | Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-01-15 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
|
|
6EIL
 | | 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
|
|
4JLK
 | | Human dCK C4S-S74E mutant in complex with UDP and the F2.2.1 inhibitoR (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE) | | Descriptor: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-03-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
|
|
4JND
 | | Structure of a C.elegans sex determining protein | | Descriptor: | Ca(2+)/calmodulin-dependent protein kinase phosphatase, MAGNESIUM ION | | Authors: | Feng, Y, Zhang, Y, Ge, J, Yang, M. | | Deposit date: | 2013-03-15 | | Release date: | 2013-06-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Structural insight into Caenorhabditis elegans sex-determining protein FEM-2.
J.Biol.Chem., 288, 2013
|
|
6EIS
 | | 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
|
|
6EIJ
 | | 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
|
|
6EIF
 | | 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
|
|
4Q1C
 | | 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
|
|
