3DRU
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![BU of 3dru by Molmil](/molmil-images/mine/3dru) | Crystal Structure of Gly117Phe Alpha1-Antitrypsin | Descriptor: | Alpha-1-antitrypsin | Authors: | Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E. | Deposit date: | 2008-07-11 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design. J.Mol.Biol., 387, 2009
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6TPV
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![BU of 6tpv by Molmil](/molmil-images/mine/6tpv) | Crystal structures of FNIII domain one and two of the human leucocyte common antigen-related protein, LAR | Descriptor: | IMIDAZOLE, Receptor-type tyrosine-protein phosphatase F | Authors: | Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D. | Deposit date: | 2019-12-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta Crystallogr D Struct Biol, 76, 2020
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6TQ6
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![BU of 6tq6 by Molmil](/molmil-images/mine/6tq6) | Crystal structure of the Orexin-1 receptor in complex with Compound 14 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.546 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TU4
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![BU of 6tu4 by Molmil](/molmil-images/mine/6tu4) | Structure of Plasmodium Actin1 filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | Authors: | Vahokoski, J, Calder, L.J, Lopez, A.J, Rosenthal, P.B, Kursula, I. | Deposit date: | 2020-01-02 | Release date: | 2021-01-13 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | High-resolution structures of malaria parasite actomyosin and actin filaments. Plos Pathog., 18, 2022
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6T23
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![BU of 6t23 by Molmil](/molmil-images/mine/6t23) | Cryo-EM structure of jasplakinolide-stabilized F-actin (aged) | Descriptor: | (4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | Authors: | Pospich, S, Merino, F, Raunser, S. | Deposit date: | 2019-10-07 | Release date: | 2020-03-04 | Last modified: | 2020-04-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Effects and Functional Implications of Phalloidin and Jasplakinolide Binding to Actin Filaments. Structure, 28, 2020
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5DUQ
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![BU of 5duq by Molmil](/molmil-images/mine/5duq) | Active human c1-inhibitor in complex with dextran sulfate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma protease C1 inhibitor, SULFITE ION, ... | Authors: | Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A, Pannu, N.S. | Deposit date: | 2015-09-20 | Release date: | 2016-08-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation. Structure, 24, 2016
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6T44
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![BU of 6t44 by Molmil](/molmil-images/mine/6t44) | |
6HY6
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![BU of 6hy6 by Molmil](/molmil-images/mine/6hy6) | |
6HYB
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![BU of 6hyb by Molmil](/molmil-images/mine/6hyb) | |
6TH7
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![BU of 6th7 by Molmil](/molmil-images/mine/6th7) | |
6H1Y
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![BU of 6h1y by Molmil](/molmil-images/mine/6h1y) | CRYSTAL STRUCTURE OF A CHIMERIC VARIANT OF THIOREDOXIN FROM ESCHERICHIA COLI | Descriptor: | Thioredoxin 1,Thioredoxin (TrxA-1),Thioredoxin 1 | Authors: | Ruggiero, A, Smaldone, G, Esposito, L, Balasco, N, Vitagliano, L. | Deposit date: | 2018-07-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Loop size optimization induces a strong thermal stabilization of the thioredoxin fold. Febs J., 286, 2019
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5E2O
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![BU of 5e2o by Molmil](/molmil-images/mine/5e2o) | |
6T6C
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![BU of 6t6c by Molmil](/molmil-images/mine/6t6c) | Complex with chitin oligomer of C-type lysozyme from the upper gastrointestinal tract of Opisthocomus hoatzin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C | Authors: | Taylor, E.J, Skjot, M, Skov, L.K, Klausen, M, De Maria, L, Gippert, G.P, Turkenburg, J.P, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-10-18 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The C-Type Lysozyme from the upper Gastrointestinal Tract of Opisthocomus hoatzin, the Stinkbird. Int J Mol Sci, 20, 2019
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3DTC
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![BU of 3dtc by Molmil](/molmil-images/mine/3dtc) | Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 | Descriptor: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION | Authors: | Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C. | Deposit date: | 2008-07-14 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models. J.Med.Chem., 51, 2008
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3DJ7
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![BU of 3dj7 by Molmil](/molmil-images/mine/3dj7) | Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130. | Descriptor: | 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | Authors: | Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J. | Deposit date: | 2008-06-22 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | New fragment-based drug discovery To be Published
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5E4S
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![BU of 5e4s by Molmil](/molmil-images/mine/5e4s) | |
8AFO
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![BU of 8afo by Molmil](/molmil-images/mine/8afo) | Structure of fibronectin 2 and 3 of L1CAM at 2.0 Angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neural cell adhesion molecule L1 | Authors: | Guedez, G, Loew, C. | Deposit date: | 2022-07-18 | Release date: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | X-ray structure and function of fibronectin domains two and three of the neural cell adhesion molecule L1. Faseb J., 37, 2023
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6UEZ
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![BU of 6uez by Molmil](/molmil-images/mine/6uez) | |
3DW3
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![BU of 3dw3 by Molmil](/molmil-images/mine/3dw3) | |
5E16
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![BU of 5e16 by Molmil](/molmil-images/mine/5e16) | Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP | Descriptor: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-29 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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3DL9
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![BU of 3dl9 by Molmil](/molmil-images/mine/3dl9) | Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2 | Descriptor: | (1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | Authors: | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-26 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.721 Å) | Cite: | Crystal structure of CYP2R1 in complex with 1-alpha-hydroxy-vitamin D2. To be Published
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5E86
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![BU of 5e86 by Molmil](/molmil-images/mine/5e86) | isolated SBD of BiP with loop34 modification | Descriptor: | 78 kDa glucose-regulated protein | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | Deposit date: | 2015-10-13 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.681 Å) | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP. Structure, 23, 2015
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6UIO
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![BU of 6uio by Molmil](/molmil-images/mine/6uio) | Crystal structure of mouse CRES (Cystatin-Related Epididymal Spermatogenic) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Cystatin-8, ... | Authors: | Dominguez, M.J, Cornwall, G.A, Hewetson, A, Sutton, R.B. | Deposit date: | 2019-10-01 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Maturation of the functional mouse CRES amyloid from globular form. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UJ1
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![BU of 6uj1 by Molmil](/molmil-images/mine/6uj1) | BACE2 mutant in complex with a macrocyclic compound | Descriptor: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2 | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-10-02 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors. Acs Chem Neurosci, 12, 2021
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5E8U
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![BU of 5e8u by Molmil](/molmil-images/mine/5e8u) | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) | Descriptor: | GLYCEROL, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2015-10-14 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity. Acta Crystallogr D Struct Biol, 72, 2016
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