8V6R
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![BU of 8v6r by Molmil](/molmil-images/mine/8v6r) | Crystal structure of EcThsA in complex with ADPR | Descriptor: | Thoeris protein ThsA Macro domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | Deposit date: | 2023-12-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
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8WTC
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8VJO
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4Q4F
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![BU of 4q4f by Molmil](/molmil-images/mine/4q4f) | Crystal structure of LIMP-2 (space group C2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Ren, J, Padilla-Parra, S, Fry, L.E, Stuart, D.I. | Deposit date: | 2014-04-14 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Lysosome sorting of beta-glucocerebrosidase by LIMP-2 is targeted by the mannose 6-phosphate receptor. Nat Commun, 5, 2014
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9EO4
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![BU of 9eo4 by Molmil](/molmil-images/mine/9eo4) | Outward-open structure of human dopamine transporter bound to cocaine | Descriptor: | CHLORIDE ION, CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Nielsen, J.C, Salomon, K, Kalenderoglou, I.E, Bargmeyer, S, Pape, T, Shahsavar, A, Loland, C.J. | Deposit date: | 2024-03-14 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | The molecular basis for cocaine binding to the human dopamine transporter To Be Published
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8UZU
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![BU of 8uzu by Molmil](/molmil-images/mine/8uzu) | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin L80A C51S C71S variant | Descriptor: | CYANIDE ION, Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Schultz, T.D, Martinez, J.E, Siegler, M.A, Schlessman, J.L, Lecomte, J.T.J. | Deposit date: | 2023-11-16 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin L80A C51S C71S variant To Be Published
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9AYX
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8QOE
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![BU of 8qoe by Molmil](/molmil-images/mine/8qoe) | Inward-facing conformation of the ABC transporter BmrA | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | Authors: | Di Cesare, M, Kaplan, E, Valimehr, S, Hanssen, E, Orelle, C, Jault, J.M. | Deposit date: | 2023-09-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains. J.Biol.Chem., 300, 2023
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7A9Z
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![BU of 7a9z by Molmil](/molmil-images/mine/7a9z) | Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | Descriptor: | 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 1 | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | Deposit date: | 2020-09-02 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands. Acta Crystallogr D Struct Biol, 77, 2021
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7ZY8
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![BU of 7zy8 by Molmil](/molmil-images/mine/7zy8) | Crystal structure of compound 2 bound to CK2alpha | Descriptor: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | Deposit date: | 2022-05-24 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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8WT3
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8UZ5
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8UQW
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![BU of 8uqw by Molmil](/molmil-images/mine/8uqw) | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | Deposit date: | 2023-10-25 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase. Acta Crystallogr D Struct Biol, 80, 2024
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8UOB
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![BU of 8uob by Molmil](/molmil-images/mine/8uob) | SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E. | Deposit date: | 2023-10-19 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UQY
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![BU of 8uqy by Molmil](/molmil-images/mine/8uqy) | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | Deposit date: | 2023-10-25 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase. Acta Crystallogr D Struct Biol, 80, 2024
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8UWX
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9AYY
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8UUW
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![BU of 8uuw by Molmil](/molmil-images/mine/8uuw) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UOA
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![BU of 8uoa by Molmil](/molmil-images/mine/8uoa) | Structure of the synaptic vesicle protein 2A Luminal domain in complex with a nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, Synaptic vesicle glycoprotein 2A, ... | Authors: | Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants. Nat.Struct.Mol.Biol., 2024
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8Z4B
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8XIO
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![BU of 8xio by Molmil](/molmil-images/mine/8xio) | Structure of L797591-SSTR1 G protein complex | Descriptor: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide, G-alpha-i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y. | Deposit date: | 2023-12-19 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3 To Be Published
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7ZY5
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![BU of 7zy5 by Molmil](/molmil-images/mine/7zy5) | Crystal structure of compound 2 bound to CK2alpha | Descriptor: | 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | Deposit date: | 2022-05-23 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZY2
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![BU of 7zy2 by Molmil](/molmil-images/mine/7zy2) | Crystal structure of compound 7 bound to CK2alpha | Descriptor: | 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | Deposit date: | 2022-05-23 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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8ZJD
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![BU of 8zjd by Molmil](/molmil-images/mine/8zjd) | Cryo-EM structure of kisspeptin receptor bound to KP-10 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(q) subunit alpha, ... | Authors: | Shen, S, Liu, H, Xu, H.E. | Deposit date: | 2024-05-14 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Cryo-EM structure of kisspeptin receptor bound to KP-10 To Be Published
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8YQ4
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![BU of 8yq4 by Molmil](/molmil-images/mine/8yq4) | Structure of mBaoJin2 | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Boyko, K.M, Nikolaeva, A.Y, Minyaev, M.E, Kuzmicheva, T.P, Vlaskina, A.V, Popov, V.O, Pyatkevich, K.D, Subach, F.V. | Deposit date: | 2024-03-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mBaoJin2 To Be Published
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