7PG3
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![BU of 7pg3 by Molmil](/molmil-images/mine/7pg3) | Low resolution Cryo-EM structure of the full-length insulin receptor bound to 3 insulin, conf 2 | Descriptor: | Insulin, Isoform Short of Insulin receptor | Authors: | Nielsen, J.A, Slaaby, R, Boesen, T, Hummelshoj, T, Brandt, J, Schluckebier, G, Nissen, P. | Deposit date: | 2021-08-12 | Release date: | 2022-02-02 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | Structural Investigations of Full-Length Insulin Receptor Dynamics and Signalling. J.Mol.Biol., 434, 2022
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7V9G
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![BU of 7v9g by Molmil](/molmil-images/mine/7v9g) | Native BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*CP*CP*CP*AP*CP*GP*CP*GP*GP*TP*GP*C)-3') | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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4HMB
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![BU of 4hmb by Molmil](/molmil-images/mine/4hmb) | Crystal Structure of the complex of group II phospholipase A2 with a 3-{3-[(Dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol at 2.21 A Resolution | Descriptor: | 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa | Authors: | Shukla, P.K, Haridas, M, Chandra, D.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-10-18 | Release date: | 2012-11-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal Structure of the complex of group II phospholipase A2 with a 3-{3-[(Dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol at 2.21 A Resolution To be Published
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7A53
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![BU of 7a53 by Molmil](/molmil-images/mine/7a53) | Structure of DYRK1A in complex with compound 7 | Descriptor: | (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7PWN
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![BU of 7pwn by Molmil](/molmil-images/mine/7pwn) | URATE OXYDASE AZA-XANTHINE COMPLEX AT 1000 BARS (100 MPa) OF ARGON | Descriptor: | 8-AZAXANTHINE, ARGON, SODIUM ION, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2021-10-07 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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1NEW
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![BU of 1new by Molmil](/molmil-images/mine/1new) | Cytochrome C551.5, NMR | Descriptor: | CYTOCHROME C551.5, HEME C | Authors: | Assfalg, M, Banci, L, Bertini, I, Bruschi, M, Turano, P. | Deposit date: | 1998-02-10 | Release date: | 1998-04-29 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | 800 MHz 1H NMR solution structure refinement of oxidized cytochrome c7 from Desulfuromonas acetoxidans. Eur.J.Biochem., 256, 1998
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7A4S
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![BU of 7a4s by Molmil](/molmil-images/mine/7a4s) | Structure of DYRK1A in complex with compound 2 | Descriptor: | 7-chlorothieno[3,2-c]pyridin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7K02
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![BU of 7k02 by Molmil](/molmil-images/mine/7k02) | |
7V9F
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![BU of 7v9f by Molmil](/molmil-images/mine/7v9f) | Selenomethionine mutant (L740Sem) of BEN4 domain of protein Bend3 with DNA | Descriptor: | BEN domain-containing protein 3, CITRIC ACID, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), ... | Authors: | Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B. | Deposit date: | 2021-08-25 | Release date: | 2022-02-16 | Last modified: | 2022-03-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation. Science, 375, 2022
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6M65
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![BU of 6m65 by Molmil](/molmil-images/mine/6m65) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPNP (GDP) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | Deposit date: | 2020-03-13 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
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7A4Z
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![BU of 7a4z by Molmil](/molmil-images/mine/7a4z) | Structure of DYRK1A in complex with compound 4 | Descriptor: | 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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6MEE
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![BU of 6mee by Molmil](/molmil-images/mine/6mee) | Crystal structure of broadly neutralizing antibody HEPC74 | Descriptor: | antibody HEPC74 Heavy Chain, antibody HEPC74 Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J. | Deposit date: | 2018-09-06 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design. Cell Host Microbe, 24, 2018
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7A4R
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![BU of 7a4r by Molmil](/molmil-images/mine/7a4r) | Structure of DYRK1A in complex with compound 1 | Descriptor: | 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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4XJC
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![BU of 4xjc by Molmil](/molmil-images/mine/4xjc) | dCTP deaminase-dUTPase from Bacillus halodurans | Descriptor: | DI(HYDROXYETHYL)ETHER, Deoxycytidine triphosphate deaminase, MAGNESIUM ION, ... | Authors: | Oehlenschlaeger, C, Loevgreen, M, Willemoes, M, Harris, P. | Deposit date: | 2015-01-08 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Bacillus halodurans Strain C125 Encodes and Synthesizes Enzymes from Both Known Pathways To Form dUMP Directly from Cytosine Deoxyribonucleotides. Appl.Environ.Microbiol., 81, 2015
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7A5N
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![BU of 7a5n by Molmil](/molmil-images/mine/7a5n) | Structure of DYRK1A in complex with compound 34 | Descriptor: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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1MYF
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![BU of 1myf by Molmil](/molmil-images/mine/1myf) | SOLUTION STRUCTURE OF CARBONMONOXY MYOGLOBIN DETERMINED FROM NMR DISTANCE AND CHEMICAL SHIFT CONSTRAINTS | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Osapay, K, Theriault, Y, Wright, P.E, Case, D.A. | Deposit date: | 1994-12-02 | Release date: | 1995-02-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of carbonmonoxy myoglobin determined from nuclear magnetic resonance distance and chemical shift constraints. J.Mol.Biol., 244, 1994
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7PR2
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![BU of 7pr2 by Molmil](/molmil-images/mine/7pr2) | Cocrystal of cytochrome c and sulfonato-thiacalix[4]arene | Descriptor: | Cytochrome c iso-1, HEME C, sulfonato-thiacalix[4]arene | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | Deposit date: | 2021-09-20 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Protein Frameworks with Thiacalixarene and Zinc. Cryst.Growth Des., 22, 2022
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2IU0
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![BU of 2iu0 by Molmil](/molmil-images/mine/2iu0) | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | Authors: | Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2006-05-26 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase J.Biol.Chem., 282, 2007
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7A5D
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![BU of 7a5d by Molmil](/molmil-images/mine/7a5d) | Structure of DYRK1A in complex with compound 16 | Descriptor: | 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7PZJ
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![BU of 7pzj by Molmil](/molmil-images/mine/7pzj) | Structure of a bacteroidetal polyethylene terephthalate (PET) esterase | Descriptor: | Lipase, POTASSIUM ION | Authors: | Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R. | Deposit date: | 2021-10-12 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity. Front Microbiol, 12, 2021
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7A51
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![BU of 7a51 by Molmil](/molmil-images/mine/7a51) | Structure of DYRK1A in complex with compound 5 | Descriptor: | 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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4XMP
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![BU of 4xmp by Molmil](/molmil-images/mine/4xmp) | Crystal structure of broadly and potently neutralizing antibody VRC08 in complex with HIV-1 clade A strain Q842.d12 gp120 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160,Envelope glycoprotein gp160, ... | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | Deposit date: | 2015-01-15 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7831 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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7A5L
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![BU of 7a5l by Molmil](/molmil-images/mine/7a5l) | tructure of DYRK1A in complex with compound 24 | Descriptor: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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2J67
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![BU of 2j67 by Molmil](/molmil-images/mine/2j67) | The TIR domain of human Toll-Like Receptor 10 (TLR10) | Descriptor: | TOLL LIKE RECEPTOR 10 | Authors: | Stenmark, P, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Welin, M, Nordlund, P. | Deposit date: | 2006-09-26 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of the Human Toll-Like Receptor 10 Cytoplasmic Domain Reveals a Putative Signaling Dimer. J.Biol.Chem., 283, 2008
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6LPV
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![BU of 6lpv by Molmil](/molmil-images/mine/6lpv) | |