8D9W
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![BU of 8d9w by Molmil](/molmil-images/mine/8d9w) | beta-Arf1 homodimeric interface within AP-1, Arf1, Nef, MHC-I lattice on narrow tubes | Descriptor: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | Authors: | Hooy, R.H, Hurley, J.H. | Deposit date: | 2022-06-11 | Release date: | 2023-07-05 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (9.3 Å) | Cite: | Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat. Sci Adv, 8, 2022
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5X7U
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![BU of 5x7u by Molmil](/molmil-images/mine/5x7u) | Trehalose synthase from Thermobaculum terrenum | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Trehalose synthase | Authors: | Su, J, Wang, F. | Deposit date: | 2017-02-27 | Release date: | 2018-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structural Characteristics and Function of a New Kind of Thermostable Trehalose Synthase from Thermobaculum terrenum. J. Agric. Food Chem., 65, 2017
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6GWR
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![BU of 6gwr by Molmil](/molmil-images/mine/6gwr) | Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ... | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-06-25 | Release date: | 2018-08-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2. J. Med. Chem., 61, 2018
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5FDP
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![BU of 5fdp by Molmil](/molmil-images/mine/5fdp) | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution. | Descriptor: | (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors. J.Med.Chem., 59, 2016
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6IG9
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![BU of 6ig9 by Molmil](/molmil-images/mine/6ig9) | |
6KZC
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![BU of 6kzc by Molmil](/molmil-images/mine/6kzc) | crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide | Descriptor: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor | Authors: | Zhang, Z.M, Wang, Y. | Deposit date: | 2019-09-23 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
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8SQZ
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8SOR
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![BU of 8sor by Molmil](/molmil-images/mine/8sor) | Structure of human PI3KC3-C1 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beclin 1-associated autophagy-related key regulator, Beclin-1, ... | Authors: | Chen, M, Hurley, J.H. | Deposit date: | 2023-04-29 | Release date: | 2023-06-21 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex bioRxiv, 2023
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8SOI
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![BU of 8soi by Molmil](/molmil-images/mine/8soi) | Structure of human ULK1 complex core (2:1:1 stoichiometry) | Descriptor: | Autophagy-related protein 13, RB1-inducible coiled-coil protein 1, Serine/threonine-protein kinase ULK1 | Authors: | Chen, M, Hurley, J.H. | Deposit date: | 2023-04-28 | Release date: | 2023-06-21 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex bioRxiv, 2023
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8SRM
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7VRE
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![BU of 7vre by Molmil](/molmil-images/mine/7vre) | The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | Descriptor: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor | Authors: | Zhu, S.J. | Deposit date: | 2021-10-22 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.507 Å) | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
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7VRA
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![BU of 7vra by Molmil](/molmil-images/mine/7vra) | The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 | Descriptor: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor | Authors: | Zhu, S.J. | Deposit date: | 2021-10-22 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
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6CRI
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![BU of 6cri by Molmil](/molmil-images/mine/6cri) | Structure of the cargo bound AP-1:Arf1:tetherin-Nef stable closed trimer | Descriptor: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | Authors: | Morris, K.L, Buffalo, C.Z, Hurley, J.H. | Deposit date: | 2018-03-18 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation. Cell, 174, 2018
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6D84
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![BU of 6d84 by Molmil](/molmil-images/mine/6d84) | Structure of the cargo bound AP-1:Arf1:tetherin-Nef (L164A, L165A) dileucine mutant dimer | Descriptor: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | Authors: | Buffalo, C.Z, Morris, K.L, Hurley, J.H. | Deposit date: | 2018-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.72 Å) | Cite: | HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation. Cell, 174, 2018
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6D83
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![BU of 6d83 by Molmil](/molmil-images/mine/6d83) | Structure of the cargo bound AP-1:Arf1:tetherin-Nef (L164A, L165A) dileucine mutant dimer monomeric subunit | Descriptor: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | Authors: | Buffalo, C.Z, Morris, K.L, Hurley, J.H. | Deposit date: | 2018-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.27 Å) | Cite: | HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation. Cell, 174, 2018
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7MU2
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![BU of 7mu2 by Molmil](/molmil-images/mine/7mu2) | Crystal Structure of WIPI2 in complex with W2IR of ATG16L1 | Descriptor: | Autophagy-related protein 16-1, WD repeat domain phosphoinositide-interacting protein 2 | Authors: | Strong, L.M, Flower, T.G, Buffalo, C.Z, Hurley, J.H. | Deposit date: | 2021-05-14 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for membrane recruitment of ATG16L1 by WIPI2 in autophagy. Elife, 10, 2021
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3IWM
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![BU of 3iwm by Molmil](/molmil-images/mine/3iwm) | The octameric SARS-CoV main protease | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Zhong, N, Zhang, S, Xue, F, Lou, Z, Rao, Z, Xia, B. | Deposit date: | 2009-09-02 | Release date: | 2010-07-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Three-dimensional domain swapping as a mechanism to lock the active conformation in a super-active octamer of SARS-CoV main protease Protein Cell, 1, 2010
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3OBU
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3OBQ
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3OBX
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3OBS
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![BU of 3obs by Molmil](/molmil-images/mine/3obs) | Crystal structure of Tsg101 UEV domain | Descriptor: | Tumor susceptibility gene 101 protein | Authors: | Im, Y.J, Hurley, J.H. | Deposit date: | 2010-08-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction. Structure, 18, 2010
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4OVA
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![BU of 4ova by Molmil](/molmil-images/mine/4ova) | |
5UR1
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![BU of 5ur1 by Molmil](/molmil-images/mine/5ur1) | FGFR1 kinase domain complex with SN37333 in reversible binding mode | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | Authors: | Yosaatmadja, Y, Paik, W.-K, Smaill, J.B, Squire, C.J. | Deposit date: | 2017-02-09 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Oxo-3, 4-dihydropyrimido[4, 5-d]pyrimidinyl derivatives as new irreversible pan fibroblast growth factor receptor (FGFR) inhibitors. Eur J Med Chem, 135, 2017
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2LKT
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2MY9
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![BU of 2my9 by Molmil](/molmil-images/mine/2my9) | |