8AZX
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![BU of 8azx by Molmil](/molmil-images/mine/8azx) | KRAS-G12C in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZY
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![BU of 8azy by Molmil](/molmil-images/mine/8azy) | KRAS-G12D in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8B00
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![BU of 8b00 by Molmil](/molmil-images/mine/8b00) | KRAS-G13D in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZZ
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![BU of 8azz by Molmil](/molmil-images/mine/8azz) | KRAS-G12V in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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6CPG
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![BU of 6cpg by Molmil](/molmil-images/mine/6cpg) | Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody | Authors: | Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. | Deposit date: | 2018-03-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
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7PUA
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![BU of 7pua by Molmil](/molmil-images/mine/7pua) | Middle assembly intermediate of the Trypanosoma brucei mitoribosomal small subunit | Descriptor: | 30S Ribosomal protein S17, putative, 30S ribosomal protein S8, ... | Authors: | Lenarcic, T, Leibundgut, M, Saurer, M, Ramrath, D.J.F, Fluegel, T, Boehringer, D, Ban, N. | Deposit date: | 2021-09-29 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mitoribosomal small subunit maturation involves formation of initiation-like complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PUB
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![BU of 7pub by Molmil](/molmil-images/mine/7pub) | Late assembly intermediate of the Trypanosoma brucei mitoribosomal small subunit | Descriptor: | 30S Ribosomal protein S17, putative, 30S ribosomal protein S8, ... | Authors: | Lenarcic, T, Leibundgut, M, Saurer, M, Ramrath, D.J.F, Fluegel, T, Boehringer, D, Ban, N. | Deposit date: | 2021-09-29 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mitoribosomal small subunit maturation involves formation of initiation-like complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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7L0F
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![BU of 7l0f by Molmil](/molmil-images/mine/7l0f) | Monobody 12VC3 Bound to HRAS(WT) | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ... | Authors: | Teng, K.W, Hattori, T, Tsai, S, Koide, S. | Deposit date: | 2020-12-11 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun, 12, 2021
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7L0G
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![BU of 7l0g by Molmil](/molmil-images/mine/7l0g) | Monobody 12VC1 Bound to HRAS(G12C) | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ... | Authors: | Teng, K.W, Hattori, T, Tsai, S, Koide, S. | Deposit date: | 2020-12-11 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun, 12, 2021
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5E08
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![BU of 5e08 by Molmil](/molmil-images/mine/5e08) | Specific Recognition of a Single-stranded RNA Sequence by an Engineered Synthetic Antibody Fragment | Descriptor: | Fab Heavy Chain, Fab Light Chain, RNA | Authors: | Huang, H, Qin, D, Li, N, Shao, Y, Staley, J.P, Kossiakoff, A.A, Koide, S, Piccirilli, J.A. | Deposit date: | 2015-09-28 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Specific Recognition of a Single-Stranded RNA Sequence by a Synthetic Antibody Fragment. J.Mol.Biol., 428, 2016
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5Z66
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![BU of 5z66 by Molmil](/molmil-images/mine/5z66) | Structure of periplasmic trehalase from Diamondback moth gut bacteria complexed with validoxylamine | Descriptor: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, GLYCEROL, Periplasmic trehalase, ... | Authors: | Harne, S.R, Adhav, A.S, Joshi, R.S, Gayathri, P. | Deposit date: | 2018-01-22 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae. Febs J., 286, 2019
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5Z6H
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![BU of 5z6h by Molmil](/molmil-images/mine/5z6h) | Structure of periplasmic trehalase from Diamondback moth gut bacteria in the apo form | Descriptor: | GLYCEROL, Periplasmic trehalase, SULFATE ION | Authors: | Harne, S.R, Adhav, A.S, Joshi, R.S, Gayathri, P. | Deposit date: | 2018-01-22 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae. Febs J., 286, 2019
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3HLI
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![BU of 3hli by Molmil](/molmil-images/mine/3hli) | |
3HLH
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![BU of 3hlh by Molmil](/molmil-images/mine/3hlh) | |
5KVM
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![BU of 5kvm by Molmil](/molmil-images/mine/5kvm) | Extracellular region of mouse GPR56/ADGRG1 in complex with FN3 monobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G-protein coupled receptor G1, ... | Authors: | Salzman, G.S, Ding, C, Koide, S, Arac, D. | Deposit date: | 2016-07-14 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Structural Basis for Regulation of GPR56/ADGRG1 by Its Alternatively Spliced Extracellular Domains. Neuron, 91, 2016
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6IF1
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![BU of 6if1 by Molmil](/molmil-images/mine/6if1) | Crystal structure of Ube2K and K48-linked di-ubiquitin complex | Descriptor: | Ubiquitin, Ubiquitin-conjugating enzyme E2 K | Authors: | Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Lim, J.J, Eom, S.H. | Deposit date: | 2018-09-18 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.466 Å) | Cite: | Crystal structure of the Ube2K/E2-25K and K48-linked di-ubiquitin complex provides structural insight into the mechanism of K48-specific ubiquitin chain synthesis. Biochem. Biophys. Res. Commun., 506, 2018
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3CSB
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![BU of 3csb by Molmil](/molmil-images/mine/3csb) | |
5WVO
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![BU of 5wvo by Molmil](/molmil-images/mine/5wvo) | Crystal structure of DNMT1 RFTS domain in complex with K18/K23 mono-ubiquitylated histone H3 | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Histone H3.1, Ubiquitin, ... | Authors: | Ishiyama, S, Nishiyama, A, Nakanishi, M, Arita, K. | Deposit date: | 2016-12-28 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structure of the Dnmt1 Reader Module Complexed with a Unique Two-Mono-Ubiquitin Mark on Histone H3 Reveals the Basis for DNA Methylation Maintenance Mol. Cell, 68, 2017
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3CSG
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5MTJ
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![BU of 5mtj by Molmil](/molmil-images/mine/5mtj) | Yes1-SH2 in complex with monobody Mb(Yes_1) | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Monobody Mb(Yes_1), SULFATE ION, ... | Authors: | Sha, F, Kukenshoner, T, Koide, S, Hantschel, O. | Deposit date: | 2017-01-09 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies. J. Mol. Biol., 429, 2017
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5MTM
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![BU of 5mtm by Molmil](/molmil-images/mine/5mtm) | Monobody Mb(Lck_3) bound to Lck-SH2 domain | Descriptor: | Monobody Mb(Lck_3), Tyrosine-protein kinase Lck, ZINC ION | Authors: | Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O. | Deposit date: | 2017-01-10 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies. J. Mol. Biol., 429, 2017
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5MTN
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![BU of 5mtn by Molmil](/molmil-images/mine/5mtn) | Monobody Mb(Lck_1) bound to Lck-Sh2 | Descriptor: | Monobody Mb(Lck_1), SULFATE ION, Tyrosine-protein kinase Lck | Authors: | Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O. | Deposit date: | 2017-01-10 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies. J. Mol. Biol., 429, 2017
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5MZK
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![BU of 5mzk by Molmil](/molmil-images/mine/5mzk) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid | Descriptor: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
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5MZC
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6RSY
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![BU of 6rsy by Molmil](/molmil-images/mine/6rsy) | |