7ZAW
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![BU of 7zaw by Molmil](/molmil-images/mine/7zaw) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3 | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-22 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZA2
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![BU of 7za2 by Molmil](/molmil-images/mine/7za2) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.6 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZFM
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![BU of 7zfm by Molmil](/molmil-images/mine/7zfm) | Engineered Protein Targeting the Zika Viral Envelope Fusion Loop | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ... | Authors: | Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D. | Deposit date: | 2022-04-01 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.711 Å) | Cite: | In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop SSRN, 2022
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7ZBD
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![BU of 7zbd by Molmil](/molmil-images/mine/7zbd) | HaloTag with TRaQ-G ligand | Descriptor: | (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | Deposit date: | 2022-03-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A locally activatable sensor for robust quantification of organellar glutathione. Nat.Chem., 15, 2023
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7ZBA
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![BU of 7zba by Molmil](/molmil-images/mine/7zba) | HaloTag with Me-TRaQ-G ligand | Descriptor: | 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | Deposit date: | 2022-03-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | A locally activatable sensor for robust quantification of organellar glutathione. Nat.Chem., 15, 2023
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7ZBB
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![BU of 7zbb by Molmil](/molmil-images/mine/7zbb) | HaloTag with TRaQ-G-ctrl ligand | Descriptor: | (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ... | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | Deposit date: | 2022-03-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A locally activatable sensor for robust quantification of organellar glutathione. Nat.Chem., 15, 2023
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7ZGE
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7ZAK
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![BU of 7zak by Molmil](/molmil-images/mine/7zak) | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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7ZFR
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![BU of 7zfr by Molmil](/molmil-images/mine/7zfr) | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-04-01 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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5T8H
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8A7N
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![BU of 8a7n by Molmil](/molmil-images/mine/8a7n) | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125) | Descriptor: | N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2022-06-21 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125) To Be Published
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6UFE
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![BU of 6ufe by Molmil](/molmil-images/mine/6ufe) | The structure of a potassium selective ion channel at atomic resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Transporter | Authors: | Langan, P.S, Vandavasi, V.G, Sullivan, B, Afonine, P.V, Weiss, K.L. | Deposit date: | 2019-09-24 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structure of a potassium-selective ion channel reveals a hydrophobic gate regulating ion permeation. Iucrj, 7, 2020
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8OVR
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8OWF
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![BU of 8owf by Molmil](/molmil-images/mine/8owf) | Clostridium perfringens chitinase CP4_3455 with chitosan | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ... | Authors: | Bloch, Y, Savvides, S.N. | Deposit date: | 2023-04-27 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Clostridium perfringens chitinase CP4_3455 with chitosan To Be Published
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8OXU
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![BU of 8oxu by Molmil](/molmil-images/mine/8oxu) | Crystal Structure of the Hsp90-LA1011 Complex | Descriptor: | ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate | Authors: | Roe, S.M, Prodromou, C. | Deposit date: | 2023-05-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease. Biomolecules, 13, 2023
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5C6E
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![BU of 5c6e by Molmil](/molmil-images/mine/5c6e) | Joint X-ray/neutron structure of equine cyanomet hemoglobin in R state | Descriptor: | CYANIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Dajnowicz, S, Sean, S, Hanson, B.L, Fisher, S.Z, Langan, P, Kovalevsky, A.Y, Mueser, T.C. | Deposit date: | 2015-06-22 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Visualizing the Bohr effect in hemoglobin: neutron structure of equine cyanomethemoglobin in the R state and comparison with human deoxyhemoglobin in the T state. Acta Crystallogr D Struct Biol, 72, 2016
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8CGA
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![BU of 8cga by Molmil](/molmil-images/mine/8cga) | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G. | Deposit date: | 2023-02-03 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant To Be Published
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8D86
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![BU of 8d86 by Molmil](/molmil-images/mine/8d86) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence co-crystallized with a guest small molecule, netropsin. | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Snow, C.D. | Deposit date: | 2022-06-07 | Release date: | 2023-06-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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8D8M
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8ERX
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![BU of 8erx by Molmil](/molmil-images/mine/8erx) | Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide | Descriptor: | Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01 | Authors: | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | Deposit date: | 2022-10-13 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules. Front Immunol, 14, 2023
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8EUO
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![BU of 8euo by Molmil](/molmil-images/mine/8euo) | Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations | Descriptor: | (S)-hydroxynitrile lyase | Authors: | Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L. | Deposit date: | 2022-10-19 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | to be published To Be Published
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7AM1
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![BU of 7am1 by Molmil](/molmil-images/mine/7am1) | Structure of yeast Ssd1, a pseudonuclease | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protein SSD1 | Authors: | Cook, A.G, Jayachandran, U. | Deposit date: | 2020-10-07 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site. Nucleic Acids Res., 50, 2022
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7PQO
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![BU of 7pqo by Molmil](/molmil-images/mine/7pqo) | Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin | Descriptor: | Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ... | Authors: | Harmat, V, Fodor, K, Heja, D. | Deposit date: | 2021-09-17 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation. J.Biol.Chem., 298, 2022
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7PQN
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![BU of 7pqn by Molmil](/molmil-images/mine/7pqn) | Catalytic fragment of MASP-2 in complex with ecotin | Descriptor: | Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ... | Authors: | Harmat, V, Fodor, K, Heja, D. | Deposit date: | 2021-09-17 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.400015 Å) | Cite: | Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation. J.Biol.Chem., 298, 2022
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4FE1
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![BU of 4fe1 by Molmil](/molmil-images/mine/4fe1) | Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T. | Deposit date: | 2012-05-29 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.9228 Å) | Cite: | Improving the accuracy of macromolecular structure refinement at 7 A resolution. Structure, 20, 2012
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