5MOM
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1AA9
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![BU of 1aa9 by Molmil](/molmil-images/mine/1aa9) | HUMAN C-HA-RAS(1-171)(DOT)GDP, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | C-HA-RAS, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Ito, Y, Yamasaki, Y, Muto, Y, Kawai, G, Nishimura, S, Miyazawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1997-01-27 | Release date: | 1997-07-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Regional polysterism in the GTP-bound form of the human c-Ha-Ras protein. Biochemistry, 36, 1997
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7ZLO
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![BU of 7zlo by Molmil](/molmil-images/mine/7zlo) | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12 | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
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7ZLP
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![BU of 7zlp by Molmil](/molmil-images/mine/7zlp) | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 9 | Descriptor: | Elongin-B, Elongin-C, PHOSPHATE ION, ... | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
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7ZLN
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![BU of 7zln by Molmil](/molmil-images/mine/7zln) | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11 | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
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7ZLS
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![BU of 7zls by Molmil](/molmil-images/mine/7zls) | co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 | Descriptor: | 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ... | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
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7ZLR
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![BU of 7zlr by Molmil](/molmil-images/mine/7zlr) | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
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7ZLM
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![BU of 7zlm by Molmil](/molmil-images/mine/7zlm) | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551 | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
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7PER
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![BU of 7per by Molmil](/molmil-images/mine/7per) | Model of the inner ring of the human nuclear pore complex | Descriptor: | Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ... | Authors: | Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U. | Deposit date: | 2021-08-11 | Release date: | 2021-10-20 | Last modified: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The cellular environment shapes the nuclear pore complex architecture. Nature, 598, 2021
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1ETX
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1ETK
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1ETY
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7O2C
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![BU of 7o2c by Molmil](/molmil-images/mine/7o2c) | X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035 | Descriptor: | (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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7O2A
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![BU of 7o2a by Molmil](/molmil-images/mine/7o2a) | X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15 | Descriptor: | (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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7O2B
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![BU of 7o2b by Molmil](/molmil-images/mine/7o2b) | X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6 | Descriptor: | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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7ZN7
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![BU of 7zn7 by Molmil](/molmil-images/mine/7zn7) | Cryo-EM structure of RCMV-E E27 bound to human DDB1 (deltaBPB) and rat STAT2 CCD | Descriptor: | B27a, DNA damage-binding protein 1, Signal transducer and activator of transcription, ... | Authors: | Lauer, S, Spahn, C.M.T, Schwefel, D. | Deposit date: | 2022-04-20 | Release date: | 2022-11-09 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structural mechanism of CRL4-instructed STAT2 degradation via a novel cytomegaloviral DCAF receptor. Embo J., 42, 2023
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7ZNN
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![BU of 7znn by Molmil](/molmil-images/mine/7znn) | Cryo-EM structure of RCMV-E E27 bound to human DDB1 (deltaBPB) and full-length rat STAT2 | Descriptor: | B27a, DNA damage-binding protein 1, Signal transducer and activator of transcription, ... | Authors: | Lauer, S, Spahn, C.M.T, Schwefel, D. | Deposit date: | 2022-04-21 | Release date: | 2022-11-09 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structural mechanism of CRL4-instructed STAT2 degradation via a novel cytomegaloviral DCAF receptor. Embo J., 42, 2023
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7P27
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![BU of 7p27 by Molmil](/molmil-images/mine/7p27) | NMR solution structure of Chikungunya virus macro domain | Descriptor: | Polyprotein P1234 | Authors: | Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A. | Deposit date: | 2021-07-04 | Release date: | 2022-07-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity. J.Mol.Biol., 434, 2022
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3CTQ
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![BU of 3ctq by Molmil](/molmil-images/mine/3ctq) | Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide | Descriptor: | Mitogen-activated protein kinase 14, N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide | Authors: | Qian, K. | Deposit date: | 2008-04-14 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 18, 2008
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3BAP
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1ETO
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6HWT
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![BU of 6hwt by Molmil](/molmil-images/mine/6hwt) | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-15 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
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7VOP
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![BU of 7vop by Molmil](/molmil-images/mine/7vop) | Cryo-EM structure of Xenopus laevis nuclear pore complex cytoplasmic ring subunit | Descriptor: | GATOR complex protein SEC13, IL4I1 protein, MGC154553 protein, ... | Authors: | Tai, L, Zhu, Y, Sun, F. | Deposit date: | 2021-10-14 | Release date: | 2022-02-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | 8 angstrom structure of the outer rings of the Xenopus laevis nuclear pore complex obtained by cryo-EM and AI. Protein Cell, 13, 2022
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6LS5
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![BU of 6ls5 by Molmil](/molmil-images/mine/6ls5) | Structure of human liver FBPase complexed with covalent allosteric inhibitor | Descriptor: | 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | Authors: | Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W. | Deposit date: | 2020-01-17 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction. J.Med.Chem., 63, 2020
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5Y3R
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![BU of 5y3r by Molmil](/molmil-images/mine/5y3r) | Cryo-EM structure of Human DNA-PK Holoenzyme | Descriptor: | DNA (34-MER), DNA (36-MER), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Yin, X, Liu, M, Tian, Y, Wang, J, Xu, Y. | Deposit date: | 2017-07-29 | Release date: | 2017-09-06 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Cryo-EM structure of human DNA-PK holoenzyme Cell Res., 27, 2017
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