7RYL
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![BU of 7ryl by Molmil](/molmil-images/mine/7ryl) | T cell receptor CO3 | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, T cell receptor delta variable 1,T cell receptor alpha chain constant, ... | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | Deposit date: | 2021-08-25 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors. Nat Commun, 13, 2022
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6OMU
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![BU of 6omu by Molmil](/molmil-images/mine/6omu) | Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib | Descriptor: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK | Authors: | Mochalkin, I, Gardberg, A.S. | Deposit date: | 2019-04-19 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases. J.Med.Chem., 62, 2019
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6O8I
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![BU of 6o8i by Molmil](/molmil-images/mine/6o8i) | BTK In Complex With Inhibitor | Descriptor: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | Authors: | Pokross, M, Tebben, A.J, Watterson, S.H. | Deposit date: | 2019-03-11 | Release date: | 2019-04-03 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK). J. Med. Chem., 62, 2019
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6A8B
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![BU of 6a8b by Molmil](/molmil-images/mine/6a8b) | Ribokinase from Leishmania donovani with AMPPCP | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Gatreddi, S, Pillalamarri, V, Qureshi, I.A. | Deposit date: | 2018-07-06 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Unraveling structural insights of ribokinase from Leishmania donovani. Int.J.Biol.Macromol., 136, 2019
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7S17
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![BU of 7s17 by Molmil](/molmil-images/mine/7s17) | |
6LNA
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![BU of 6lna by Molmil](/molmil-images/mine/6lna) | YdiU complex with AMPNPP and Mn2+ | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Li, B, Yang, Y, Ma, Y. | Deposit date: | 2019-12-28 | Release date: | 2020-12-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation. Cell Rep, 32, 2020
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6OXC
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![BU of 6oxc by Molmil](/molmil-images/mine/6oxc) | Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Methylmalonyl-CoA mutase large subunit, ... | Authors: | Purchal, M, Ruetz, M, Banerjee, R, Koutmos, M. | Deposit date: | 2019-05-13 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair. Science, 366, 2019
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6P8Z
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![BU of 6p8z by Molmil](/molmil-images/mine/6p8z) | Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor | Descriptor: | 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ... | Authors: | Mohr, C. | Deposit date: | 2019-06-08 | Release date: | 2019-08-28 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C. Acs Med.Chem.Lett., 10, 2019
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6PD2
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![BU of 6pd2 by Molmil](/molmil-images/mine/6pd2) | |
6P3P
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![BU of 6p3p by Molmil](/molmil-images/mine/6p3p) | Crystal structure of Mcl-1 in complex with compound 65 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | Authors: | Toms, A.V, Follows, B. | Deposit date: | 2019-05-24 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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5NX5
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![BU of 5nx5 by Molmil](/molmil-images/mine/5nx5) | Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus in complex with 2-fluorogeranyl diphosphate | Descriptor: | (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, CHLORIDE ION, GLYCEROL, ... | Authors: | Karuppiah, V, Leys, D, Scrutton, N.S. | Deposit date: | 2017-05-09 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase. ACS Catal, 7, 2017
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6P8W
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![BU of 6p8w by Molmil](/molmil-images/mine/6p8w) | |
6PD1
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![BU of 6pd1 by Molmil](/molmil-images/mine/6pd1) | |
7SQP
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![BU of 7sqp by Molmil](/molmil-images/mine/7sqp) | |
7SRK
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![BU of 7srk by Molmil](/molmil-images/mine/7srk) | |
7ST3
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![BU of 7st3 by Molmil](/molmil-images/mine/7st3) | |
7SR4
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![BU of 7sr4 by Molmil](/molmil-images/mine/7sr4) | |
7STG
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![BU of 7stg by Molmil](/molmil-images/mine/7stg) | |
7SR3
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![BU of 7sr3 by Molmil](/molmil-images/mine/7sr3) | |
7SR0
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![BU of 7sr0 by Molmil](/molmil-images/mine/7sr0) | Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPET | Descriptor: | PHOSPHATE ION, Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH | Authors: | Finton, K.A.K, Rupert, P.B. | Deposit date: | 2021-11-07 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Effects of HLA single chain trimer design on peptide presentation and stability. Front Immunol, 14, 2023
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7SR5
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![BU of 7sr5 by Molmil](/molmil-images/mine/7sr5) | |
7SSH
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![BU of 7ssh by Molmil](/molmil-images/mine/7ssh) | |
6P8Y
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![BU of 6p8y by Molmil](/molmil-images/mine/6p8y) | |
7SXB
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![BU of 7sxb by Molmil](/molmil-images/mine/7sxb) | |
6P8X
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![BU of 6p8x by Molmil](/molmil-images/mine/6p8x) | |