7O7L
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![BU of 7o7l by Molmil](/molmil-images/mine/7o7l) | (h-alpha2M)4 native I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ... | Authors: | Luque, D, Goulas, T, Mata, C.P, Mendes, S.R, Gomis-Ruth, F.X, Caston, J.R. | Deposit date: | 2021-04-13 | Release date: | 2022-04-20 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structures show the mechanistic basis of pan-peptidase inhibition by human alpha 2 -macroglobulin. Proc.Natl.Acad.Sci.USA, 119, 2022
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1AJ5
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![BU of 1aj5 by Molmil](/molmil-images/mine/1aj5) | CALPAIN DOMAIN VI APO | Descriptor: | CALPAIN | Authors: | Cygler, M, Grochulski, P, Blanchard, H. | Deposit date: | 1997-05-15 | Release date: | 1998-05-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes. Nat.Struct.Biol., 4, 1997
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1A1T
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![BU of 1a1t by Molmil](/molmil-images/mine/1a1t) | STRUCTURE OF THE HIV-1 NUCLEOCAPSID PROTEIN BOUND TO THE SL3 PSI-RNA RECOGNITION ELEMENT, NMR, 25 STRUCTURES | Descriptor: | NUCLEOCAPSID PROTEIN, SL3 STEM-LOOP RNA, ZINC ION | Authors: | De Guzman, R.N, Wu, Z.R, Stalling, C.C, Pappalardo, L, Borer, P.N, Summers, M.F. | Deposit date: | 1997-12-15 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the HIV-1 nucleocapsid protein bound to the SL3 psi-RNA recognition element. Science, 279, 1998
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7T89
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![BU of 7t89 by Molmil](/molmil-images/mine/7t89) | Light harvesting complex Phycocyanin PC577 from the cryptophyte Hemiselmis pacifica CCMP 706 | Descriptor: | DiCys-(15,16)-Dihydrobiliverdin, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ... | Authors: | Michie, K.A, Curmi, P.C, Harrop, S, Rathbone, H.W. | Deposit date: | 2021-12-16 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins. Protein Sci., 32, 2023
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17RA
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![BU of 17ra by Molmil](/molmil-images/mine/17ra) | |
6G2R
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![BU of 6g2r by Molmil](/molmil-images/mine/6g2r) | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | Deposit date: | 2018-03-23 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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7NSK
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![BU of 7nsk by Molmil](/molmil-images/mine/7nsk) | Endoplasmic reticulum aminopeptidase 2 complexed with a hydroxamic ligand | Descriptor: | (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | Authors: | Mpakali, A, Giastas, P, Stratikos, E. | Deposit date: | 2021-03-08 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Endoplasmic reticulum aminopeptidase 2 in complex with a phosphinic ligand To Be Published
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8D3X
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![BU of 8d3x by Molmil](/molmil-images/mine/8d3x) | Human alpha3 Na+/K+-ATPase in its K+-occluded state | Descriptor: | FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, Sodium/potassium-transporting ATPase subunit beta-1, ... | Authors: | Nguyen, P.T, Bai, X. | Deposit date: | 2022-06-01 | Release date: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis for gating mechanism of the human sodium-potassium pump. Nat Commun, 13, 2022
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8PUV
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![BU of 8puv by Molmil](/molmil-images/mine/8puv) | Trimeric prM/E spike of Tick-borne encephalitis virus immature particle | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Protein prM | Authors: | Fuzik, T, Plevka, P, Smerdova, L, Novacek, J. | Deposit date: | 2023-07-17 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | The structure of immature tick-borne encephalitis virus supports the collapse model of flavivirus maturation. Sci Adv, 10, 2024
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7NSN
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![BU of 7nsn by Molmil](/molmil-images/mine/7nsn) | Multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis: mannoimidazole complex | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Kolaczkowski, B.M, Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S, Moeler, M.S, Meyer, A.S, Westh, P, Jensen, K, Krogh, K.B.R.M. | Deposit date: | 2021-03-08 | Release date: | 2022-09-21 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural and functional characterization of a multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis. Acta Crystallogr D Struct Biol, 79, 2023
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1A6Z
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![BU of 1a6z by Molmil](/molmil-images/mine/1a6z) | HFE (HUMAN) HEMOCHROMATOSIS PROTEIN | Descriptor: | BETA-2-MICROGLOBULIN, HFE | Authors: | Lebron, J.A, Bennett, M.J, Vaughn, D.E, Chirino, A.J, Snow, P.M, Mintier, G.A, Feder, J.N, Bjorkman, P.J. | Deposit date: | 1998-03-04 | Release date: | 1999-03-23 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the hemochromatosis protein HFE and characterization of its interaction with transferrin receptor. Cell(Cambridge,Mass.), 93, 1998
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6WY2
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![BU of 6wy2 by Molmil](/molmil-images/mine/6wy2) | Crystal structure of RNA-10mer: CCGG(N4-methyl-C)GCCGG | Descriptor: | MAGNESIUM ION, POTASSIUM ION, RNA-10mer: CCGG(4-methyl-C)GCCGG | Authors: | Sekula, B, Ruszkowski, M, Mao, S, Haruehanroengra, P, Sheng, J. | Deposit date: | 2020-05-12 | Release date: | 2020-09-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.928 Å) | Cite: | Base pairing, structural and functional insights into N4-methylcytidine (m4C) and N4,N4-dimethylcytidine (m42C) modified RNA. Nucleic Acids Res., 48, 2020
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7O7V
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![BU of 7o7v by Molmil](/molmil-images/mine/7o7v) | Crystal structure of rsEGFP2 mutant V151A in the fluorescent on-state determined by serial femtosecond crystallography at room temperature | Descriptor: | Green fluorescent protein | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, Schlichting, I, Colletier, J.-P, Weik, M. | Deposit date: | 2021-04-13 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement. Chemphyschem, 23, 2022
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4RG2
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![BU of 4rg2 by Molmil](/molmil-images/mine/4rg2) | Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-N-[3-(tert-butylamino)propyl]benzamide, Tumor suppressor p53-binding protein 1, ... | Authors: | Dong, A, Mader, P, James, L, Perfetti, M, Tempel, W, Frye, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1. ACS Chem. Biol., 10, 2015
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171D
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![BU of 171d by Molmil](/molmil-images/mine/171d) | SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P. | Deposit date: | 1994-03-14 | Release date: | 1994-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement. Biochemistry, 33, 1994
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6YJM
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![BU of 6yjm by Molmil](/molmil-images/mine/6yjm) | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972 | Descriptor: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | Authors: | Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M. | Deposit date: | 2020-04-03 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis. J.Med.Chem., 64, 2021
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1A57
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![BU of 1a57 by Molmil](/molmil-images/mine/1a57) | THE THREE-DIMENSIONAL STRUCTURE OF A HELIX-LESS VARIANT OF INTESTINAL FATTY ACID BINDING PROTEIN, NMR, 20 STRUCTURES | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN | Authors: | Steele, R.A, Emmert, D.A, Kao, J, Hodsdon, M.E, Frieden, C, Cistola, D.P. | Deposit date: | 1998-02-20 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional structure of a helix-less variant of intestinal fatty acid-binding protein. Protein Sci., 7, 1998
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7ORF
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![BU of 7orf by Molmil](/molmil-images/mine/7orf) | Crystal structure of JNK3 in complex with FMU-001-367 (compound 1) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 10, ... | Authors: | Chaikuad, A, Koch, P, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-06-05 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light. Angew.Chem.Int.Ed.Engl., 60, 2021
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4REA
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![BU of 4rea by Molmil](/molmil-images/mine/4rea) | A Nuclease DNA complex | Descriptor: | DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), ... | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | Deposit date: | 2014-09-22 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.81 Å) | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer. Nat Commun, 5, 2014
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3CL2
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![BU of 3cl2 by Molmil](/molmil-images/mine/3cl2) | N1 Neuraminidase N294S + Oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | Authors: | Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J. | Deposit date: | 2008-03-18 | Release date: | 2008-05-20 | Last modified: | 2018-08-22 | Method: | X-RAY DIFFRACTION (2.538 Å) | Cite: | Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Nature, 453, 2008
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6WTS
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![BU of 6wts by Molmil](/molmil-images/mine/6wts) | CryoEM structure of the C. sordellii lethal toxin TcsL in complex with SEMA6A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SEMA6A, ... | Authors: | Kucharska, I, Rubinstein, J.L, Julien, J.P. | Deposit date: | 2020-05-03 | Release date: | 2020-07-08 | Last modified: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Recognition of Semaphorin Proteins by P. sordellii Lethal Toxin Reveals Principles of Receptor Specificity in Clostridial Toxins. Cell, 182, 2020
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7OUP
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![BU of 7oup by Molmil](/molmil-images/mine/7oup) | Structure of human DPP3 in complex with a hydroxyethylene transition state peptidomimetic | Descriptor: | ((2R,4S,5S)-5-((S)-2-amino-3-methylbutanamido)-2-benzyl-4-hydroxy-6-methylheptanoyl)-L-prolyl-L-tryptophan, Dipeptidyl peptidase 3, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Gruber, K. | Deposit date: | 2021-06-12 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics. Chemistry, 27, 2021
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4R44
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![BU of 4r44 by Molmil](/molmil-images/mine/4r44) | Racemic crystal structure of a tetramolecular DNA G-quadruplex | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', POTASSIUM ION, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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1B48
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![BU of 1b48 by Molmil](/molmil-images/mine/1b48) | |
6YXY
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![BU of 6yxy by Molmil](/molmil-images/mine/6yxy) | State B of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate | Descriptor: | 12S ribosomal RNA, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N. | Deposit date: | 2020-05-04 | Release date: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis. Mol.Cell, 79, 2020
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