6H0L
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![BU of 6h0l by Molmil](/molmil-images/mine/6h0l) | Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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5G3M
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![BU of 5g3m by Molmil](/molmil-images/mine/5g3m) | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | Descriptor: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
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8QEB
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![BU of 8qeb by Molmil](/molmil-images/mine/8qeb) | S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ERGOSTEROL, ... | Authors: | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QEC
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![BU of 8qec by Molmil](/molmil-images/mine/8qec) | S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QED
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![BU of 8qed by Molmil](/molmil-images/mine/8qed) | S. cerevisia Niemann-Pick type C protein NCR1 in LMNG at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular sterol transporter 1-related protein 1, ... | Authors: | Frain, K.M, Nel, L, Dedic, E, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QEE
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![BU of 8qee by Molmil](/molmil-images/mine/8qee) | S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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5H29
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![BU of 5h29 by Molmil](/molmil-images/mine/5h29) | Crystal Structure of the NTD_N/C domain of Alkylhydroperoxide Reductase AhpF from Enterococcus Faecalis (V583) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PROLINE, SULFATE ION, ... | Authors: | Balakrishna, A.M, Kwang, T.Y, Gruber, G. | Deposit date: | 2016-10-14 | Release date: | 2017-11-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel insights into the vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F Biochim. Biophys. Acta, 1861, 2017
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6H0K
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![BU of 6h0k by Molmil](/molmil-images/mine/6h0k) | Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6GWA
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![BU of 6gwa by Molmil](/molmil-images/mine/6gwa) | Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser | Descriptor: | Concanavalin B | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-06-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6FZ4
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![BU of 6fz4 by Molmil](/molmil-images/mine/6fz4) | Structure of GluK1 ligand-binding domain in complex with N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide at 1.85 A resolution | Descriptor: | CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ... | Authors: | Kastrup, J.S, Frydenvang, K, Mollerud, S. | Deposit date: | 2018-03-14 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N1-Substituted Quinoxaline-2,3-diones as Kainate Receptor Antagonists: X-ray Crystallography, Structure-Affinity Relationships, and in Vitro Pharmacology. Acs Chem Neurosci, 10, 2019
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6G5J
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![BU of 6g5j by Molmil](/molmil-images/mine/6g5j) | Secreted phospholipase A2 type X in complex with ligand | Descriptor: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Oster, L. | Deposit date: | 2018-03-29 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid. ACS Med Chem Lett, 9, 2018
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6GW9
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![BU of 6gw9 by Molmil](/molmil-images/mine/6gw9) | Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser | Descriptor: | CALCIUM ION, Concanavalin V, MAGNESIUM ION | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-06-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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5G3N
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![BU of 5g3n by Molmil](/molmil-images/mine/5g3n) | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | Descriptor: | 3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID, CALCIUM ION, FORMIC ACID, ... | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
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1AFW
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![BU of 1afw by Molmil](/molmil-images/mine/1afw) | |
4O5Q
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![BU of 4o5q by Molmil](/molmil-images/mine/4o5q) | Crystal Structure of the Alkylhydroperoxide Reductase AhpF from Escherichia coli | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase subunit F, CADMIUM ION, ... | Authors: | Dip, P.V, Kamariah, N, Manimekalai, M.S.S, Balakrishna, A.M, Gruber, G. | Deposit date: | 2013-12-20 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli Acta Crystallogr.,Sect.D, 70, 2014
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4FB3
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![BU of 4fb3 by Molmil](/molmil-images/mine/4fb3) | Polyomavirus T-ag binds symmetrical repeats at the viral origin in an asymmetrical manner | Descriptor: | Large T antigen, ORI DNA oligonucleotide-Crick strand, ORI DNA oligonucleotide-Watson strand | Authors: | Bohm, A, Harrison, C.J, Schaffhausen, B.S, Jiang, T. | Deposit date: | 2012-05-22 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Polyomavirus large T antigen binds symmetrical repeats at the viral origin in an asymmetrical manner. J.Virol., 87, 2013
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8FTS
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![BU of 8fts by Molmil](/molmil-images/mine/8fts) | SgvM methyltransferase with SAH and alpha-ketoleucine | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Kuzelka, K, Nair, S.K. | Deposit date: | 2023-01-13 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases Nat Commun, 14, 2023
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8FTR
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![BU of 8ftr by Molmil](/molmil-images/mine/8ftr) | SgvM methyltransferase with MTA and alpha-ketoleucine | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methyltransferase, ... | Authors: | Kuzelka, K, Nair, S.K. | Deposit date: | 2023-01-13 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases. Nat Commun, 14, 2023
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8FTV
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![BU of 8ftv by Molmil](/molmil-images/mine/8ftv) | |
4PO7
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![BU of 4po7 by Molmil](/molmil-images/mine/4po7) | Structure of the Sortilin:neurotensin complex at excess neurotensin concentration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurotensin/neuromedin N, Sortilin, ... | Authors: | Quistgaard, E.M, Groftehauge, M.K, Thirup, S.S. | Deposit date: | 2014-02-25 | Release date: | 2014-07-23 | Last modified: | 2020-10-21 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Revisiting the structure of the Vps10 domain of human sortilin and its interaction with neurotensin. Protein Sci., 23, 2014
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3RFU
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![BU of 3rfu by Molmil](/molmil-images/mine/3rfu) | Crystal structure of a copper-transporting PIB-type ATPase | Descriptor: | Copper efflux ATPase, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Gourdon, P, Liu, X, Skjorringe, T, Morth, J.P, Birk Moller, L, Panyella Pedersen, B, Nissen, P. | Deposit date: | 2011-04-07 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a copper-transporting PIB-type ATPase. Nature, 475, 2011
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1ADJ
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![BU of 1adj by Molmil](/molmil-images/mine/1adj) | HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDINE | Descriptor: | HISTIDINE, HISTIDYL-TRNA SYNTHETASE, SULFATE ION | Authors: | Cusack, S, Aberg, A. | Deposit date: | 1997-02-18 | Release date: | 1997-08-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase. Biochemistry, 36, 1997
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1ADY
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![BU of 1ady by Molmil](/molmil-images/mine/1ady) | HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDYL-ADENYLATE | Descriptor: | HISTIDYL-ADENOSINE MONOPHOSPHATE, HISTIDYL-TRNA SYNTHETASE, SULFATE ION | Authors: | Cusack, S, Aberg, A. | Deposit date: | 1997-02-19 | Release date: | 1997-08-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase. Biochemistry, 36, 1997
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6YIO
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![BU of 6yio by Molmil](/molmil-images/mine/6yio) | CRYSTAL STRUCTURE OF FAB RG6292 IN COMPLEX WITH CD25 ECD | Descriptor: | FAB FRAGMENT HEAVY CHAIN, FAB FRGAMENT LIGHT CHAIN, Interleukin-2 receptor subunit alpha | Authors: | Benz, J, Koll, H, Leibrock, L. | Deposit date: | 2020-04-01 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | CD25-T reg -depleting antibodies preserving IL-2 signaling on effector T cells enhance effector activation and antitumor immunity. Nat Cancer, 1, 2020
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6M8Z
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![BU of 6m8z by Molmil](/molmil-images/mine/6m8z) | Crystal structure of human DJ-1 without a modification on Cys-106 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Shumilin, I.A, Shabalin, I.G, Shumilina, S.V, Werenskjold, C, Utepbergenov, D, Minor, W. | Deposit date: | 2018-08-22 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1. Biochem. Biophys. Res. Commun., 504, 2018
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