8SIE
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![BU of 8sie by Molmil](/molmil-images/mine/8sie) | Pendrin in complex with bicarbonate | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, BICARBONATE ION, CHOLESTEROL, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-16 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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7VPT
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8SXN
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![BU of 8sxn by Molmil](/molmil-images/mine/8sxn) | Structure of NLRP3 and NEK7 complex | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | Deposit date: | 2023-05-22 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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1E6L
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![BU of 1e6l by Molmil](/molmil-images/mine/1e6l) | Two-component signal transduction system D13A mutant of CheY | Descriptor: | Chemotaxis protein CheY | Authors: | Sola, M, Lopez-Hernandez, E, Cronet, P, Lacroix, E, Serrano, L, Coll, M, Parraga, A. | Deposit date: | 2000-08-18 | Release date: | 2001-03-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards understanding a molecular switch mechanism: thermodynamic and crystallographic studies of the signal transduction protein CheY. J.Mol.Biol., 303, 2000
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8SWF
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![BU of 8swf by Molmil](/molmil-images/mine/8swf) | Cryo-EM structure of NLRP3 open octamer | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | Deposit date: | 2023-05-18 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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7E9T
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![BU of 7e9t by Molmil](/molmil-images/mine/7e9t) | Nanometer resolution in situ structure of SARS-CoV-2 post-fusion spike | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2, ... | Authors: | Zhu, Y, Tai, L, Zhu, G, Yin, G, Sun, F. | Deposit date: | 2021-03-05 | Release date: | 2021-11-17 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (10.9 Å) | Cite: | Nanometer-resolution in situ structure of the SARS-CoV-2 postfusion spike protein. Proc.Natl.Acad.Sci.USA, 118, 2021
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1E5N
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![BU of 1e5n by Molmil](/molmil-images/mine/1e5n) | E246C mutant of P fluorescens subsp. cellulosa xylanase A in complex with xylopentaose | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Lo Leggio, L, Jenkins, J.A, Harris, G.W, Pickersgill, R.W. | Deposit date: | 2000-07-27 | Release date: | 2000-12-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray crystallographic study of xylopentaose binding to Pseudomonas fluorescens xylanase A. Proteins, 41, 2000
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1ET1
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![BU of 1et1 by Molmil](/molmil-images/mine/1et1) | CRYSTAL STRUCTURE OF HUMAN PARATHYROID HORMONE 1-34 AT 0.9 A RESOLUTION | Descriptor: | PARATHYROID HORMONE, SODIUM ION | Authors: | Jin, L, Briggs, S.L, Chandrasekhar, S, Chirgadze, N.Y, Clawson, D.K, Schevitz, R.W, Smiley, D.L, Tashjian, A.H, Zhang, F. | Deposit date: | 2000-04-12 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution. J.Biol.Chem., 275, 2000
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8SV9
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![BU of 8sv9 by Molmil](/molmil-images/mine/8sv9) | Crystal structure of ULK1 kinase domain with inhibitor MR-2088 | Descriptor: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Schonbrunn, E, Sun, L. | Deposit date: | 2023-05-15 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties. Eur.J.Med.Chem., 266, 2024
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1EV5
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![BU of 1ev5 by Molmil](/molmil-images/mine/1ev5) | CRYSTAL STRUCTURE ANALYSIS OF ALA167 MUTANT OF ESCHERICHIA COLI | Descriptor: | SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | Deposit date: | 2000-04-19 | Release date: | 2000-05-03 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Catalytic cysteine of thymidylate synthase is activated upon substrate binding. Biochemistry, 39, 2000
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1EVG
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![BU of 1evg by Molmil](/molmil-images/mine/1evg) | CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI WITH UNMODIFIED CATALYTIC CYSTEINE | Descriptor: | SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | Deposit date: | 2000-04-19 | Release date: | 2000-05-03 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalytic cysteine of thymidylate synthase is activated upon substrate binding. Biochemistry, 39, 2000
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8SKD
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8SKX
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7EFX
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![BU of 7efx by Molmil](/molmil-images/mine/7efx) | Crystal Structure of human PIN1 complexed with covalent inhibitor | Descriptor: | 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Liu, L, Li, J, Zhu, R, Pei, Y. | Deposit date: | 2021-03-23 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
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7EKV
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![BU of 7ekv by Molmil](/molmil-images/mine/7ekv) | Crystal Structure of human Pin1 complexed with a covalent inhibitor | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Liu, L, Li, J. | Deposit date: | 2021-04-06 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
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1EYY
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![BU of 1eyy by Molmil](/molmil-images/mine/1eyy) | CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI. | Descriptor: | ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A. | Deposit date: | 2000-05-09 | Release date: | 2000-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity. Biochem.J., 349, 2000
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7EFJ
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![BU of 7efj by Molmil](/molmil-images/mine/7efj) | Crystal Structure Analysis of human PIN1 | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Liu, L, Li, J. | Deposit date: | 2021-03-21 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
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8SKE
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8S4G
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![BU of 8s4g by Molmil](/molmil-images/mine/8s4g) | Cryo-EM structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 at 3.2 Angstrom resolution | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D. | Deposit date: | 2024-02-21 | Release date: | 2024-03-13 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | New structural features of the APC/C revealed by high resolution cryo-EM structures of apo-APC/C and the APC/C-CDH1-EMI1 complex To Be Published
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1EZZ
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1F2T
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![BU of 1f2t by Molmil](/molmil-images/mine/1f2t) | Crystal Structure of ATP-Free RAD50 ABC-ATPase | Descriptor: | RAD50 ABC-ATPASE | Authors: | Hopfner, K.P, Karcher, A, Shin, D.S, Craig, L. | Deposit date: | 2000-05-29 | Release date: | 2000-08-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural biology of Rad50 ATPase: ATP-driven conformational control in DNA double-strand break repair and the ABC-ATPase superfamily. Cell(Cambridge,Mass.), 101, 2000
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8RZV
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1F4M
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![BU of 1f4m by Molmil](/molmil-images/mine/1f4m) | P3(2) CRYSTAL STRUCTURE OF ALA2ILE2-6, A VERSION OF ROP WITH A REPACKED HYDROPHOBIC CORE AND A NEW FOLD. | Descriptor: | CALCIUM ION, ROP ALA2ILE2-6 | Authors: | Willis, M.A, Bishop, B, Regan, L, Brunger, A.T. | Deposit date: | 2000-06-08 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Dramatic structural and thermodynamic consequences of repacking a protein's hydrophobic core. Structure Fold.Des., 8, 2000
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8RXR
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![BU of 8rxr by Molmil](/molmil-images/mine/8rxr) | Crystal structure of VPS34 in complex with inhibitor SB02024 | Descriptor: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | Deposit date: | 2024-02-07 | Release date: | 2024-03-20 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 18, 2024
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1EZL
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![BU of 1ezl by Molmil](/molmil-images/mine/1ezl) | CRYSTAL STRUCTURE OF THE DISULPHIDE BOND-DEFICIENT AZURIN MUTANT C3A/C26A: HOW IMPORTANT IS THE S-S BOND FOR FOLDING AND STABILITY? | Descriptor: | AZURIN, COPPER (II) ION | Authors: | Bonander, N, Leckner, J, Guo, H, Karlsson, B.G, Sjolin, L. | Deposit date: | 2000-05-11 | Release date: | 2000-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the disulfide bond-deficient azurin mutant C3A/C26A: how important is the S-S bond for folding and stability? Eur.J.Biochem., 267, 2000
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