5JZB
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![BU of 5jzb by Molmil](/molmil-images/mine/5jzb) | Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | Descriptor: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | Deposit date: | 2016-05-16 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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7B6W
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![BU of 7b6w by Molmil](/molmil-images/mine/7b6w) | Crystal structure of the human alpha1B adrenergic receptor in complex with inverse agonist (+)-cyclazosin | Descriptor: | Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor, [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone | Authors: | Deluigi, M, Morstein, L, Hilge, M, Schuster, M, Merklinger, L, Klipp, A, Scott, D.J, Plueckthun, A. | Deposit date: | 2020-12-08 | Release date: | 2022-01-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.873 Å) | Cite: | Crystal structure of the alpha 1B -adrenergic receptor reveals molecular determinants of selective ligand recognition. Nat Commun, 13, 2022
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8F2C
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![BU of 8f2c by Molmil](/molmil-images/mine/8f2c) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML3006a | Descriptor: | (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-07 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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5CGO
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![BU of 5cgo by Molmil](/molmil-images/mine/5cgo) | Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 13 | Descriptor: | ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2 | Authors: | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | Deposit date: | 2015-07-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif. J.Am.Chem.Soc., 137, 2015
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5CNI
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![BU of 5cni by Molmil](/molmil-images/mine/5cni) | mGlu2 with Glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | Clawson, D.K, Atwell, S, Monn, J.A. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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6FG0
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![BU of 6fg0 by Molmil](/molmil-images/mine/6fg0) | Crystal structure of R. ruber ADH-A, mutant Y54G, F43T, L119Y, F282W | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | Deposit date: | 2018-01-09 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases Acs Catalysis, 8, 2018
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6UXM
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6UXU
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![BU of 6uxu by Molmil](/molmil-images/mine/6uxu) | |
4Y6C
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![BU of 4y6c by Molmil](/molmil-images/mine/4y6c) | Q17M crystal structure of Podosopora anserina putative kinesin light chain nearly identical TPR-like repeats | Descriptor: | ANSERINA PUTATIVE KINESIN LIGHT chain, SULFATE ION | Authors: | Marold, J.D, Kavran, J.M, Bowman, G.D, Barrick, D. | Deposit date: | 2015-02-12 | Release date: | 2015-10-07 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.772 Å) | Cite: | A Naturally Occurring Repeat Protein with High Internal Sequence Identity Defines a New Class of TPR-like Proteins. Structure, 23, 2015
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6XDM
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6V04
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![BU of 6v04 by Molmil](/molmil-images/mine/6v04) | DynU16 crystal structure, a putative protein in the dynemicin biosynthetic locus | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ... | Authors: | Alvarado, S.K, Miller, M.D, Bhardwaj, M, Thorson, J.S, Van Lanen, S.G, Phillips Jr, G.N. | Deposit date: | 2019-11-18 | Release date: | 2020-11-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural characterization of DynU16, a START/Bet v1-like protein involved in dynemicin biosynthesis. Acta Crystallogr.,Sect.F, 77, 2021
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5MSP
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7OEA
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![BU of 7oea by Molmil](/molmil-images/mine/7oea) | Lassa virus L protein bound to 3' promoter RNA (well-resolved polymerase core) [3END-CORE] | Descriptor: | 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-02 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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6XI7
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![BU of 6xi7 by Molmil](/molmil-images/mine/6xi7) | Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form I) | Descriptor: | CHLORIDE ION, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Chan, A.H, Tran, T.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2020-06-19 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun, 12, 2021
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7OEB
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![BU of 7oeb by Molmil](/molmil-images/mine/7oeb) | Lassa virus L protein bound to 3' promoter RNA (well-resolved endonuclease) [3END-ENDO] | Descriptor: | 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-02 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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6XIH
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7OBB
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![BU of 7obb by Molmil](/molmil-images/mine/7obb) | Cryo-EM structure of human RNA Polymerase I Open Complex | Descriptor: | DNA non-template strand, DNA template strand, DNA-directed RNA polymerase I subunit RPA1, ... | Authors: | Misiaszek, A.D, Girbig, M, Mueller, C.W. | Deposit date: | 2021-04-21 | Release date: | 2021-12-08 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of human RNA polymerase I. Nat.Struct.Mol.Biol., 28, 2021
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6XLV
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8H5D
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6V6F
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7O4H
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4YCR
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![BU of 4ycr by Molmil](/molmil-images/mine/4ycr) | Structure determination of an integral membrane protein at room temperature from crystals in situ | Descriptor: | Tellurite resistance protein TehA homolog, octyl beta-D-glucopyranoside | Authors: | Axford, D, Hu, N.J, Foadi, J, Choudhury, H.G, Iwata, S, Beis, K, Evans, G, Alguel, Y. | Deposit date: | 2015-02-20 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure determination of an integral membrane protein at room temperature from crystals in situ. Acta Crystallogr.,Sect.D, 71, 2015
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8CCK
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7K4N
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7NTN
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![BU of 7ntn by Molmil](/molmil-images/mine/7ntn) | The structure of RRM domain of human TRMT2A at 2 A resolution | Descriptor: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | Authors: | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | Deposit date: | 2021-03-10 | Release date: | 2022-01-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.016 Å) | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death. Comput Struct Biotechnol J, 20, 2022
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