1FX7
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![BU of 1fx7 by Molmil](/molmil-images/mine/1fx7) | CRYSTAL STRUCTURE OF THE IRON-DEPENDENT REGULATOR (IDER) FROM MYCOBACTERIUM TUBERCULOSIS | Descriptor: | COBALT (II) ION, IRON-DEPENDENT REPRESSOR IDER, SULFATE ION | Authors: | Feese, M.D, Ingason, B.P, Goranson-Siekierke, J, Holmes, R.K, Hol, W.J.G. | Deposit date: | 2000-09-25 | Release date: | 2001-03-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the iron-dependent regulator from Mycobacterium tuberculosis at 2.0-A resolution reveals the Src homology domain 3-like fold and metal binding function of the third domain. J.Biol.Chem., 276, 2001
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6JOH
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7SVL
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![BU of 7svl by Molmil](/molmil-images/mine/7svl) | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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5MUB
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![BU of 5mub by Molmil](/molmil-images/mine/5mub) | ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (CG05) | Descriptor: | ACC1 Fab fragment heavy chain, ACC1 Fab fragment light chain, triple-helical peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,triple-helical peptide containing the citrullinated C1 epitope of collagen type II | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | Deposit date: | 2017-01-13 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage. JCI Insight, 2, 2017
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7SNM
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1GNL
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![BU of 1gnl by Molmil](/molmil-images/mine/1gnl) | Hybrid Cluster Protein from Desulfovibrio desulfuricans X-ray structure at 1.25A resolution using synchrotron radiation at a wavelength of 0.933A | Descriptor: | ACETATE ION, HYBRID CLUSTER PROTEIN, IRON/SULFUR CLUSTER, ... | Authors: | Macedo, S, Mitchell, E.P, Romao, C.V, Cooper, S.J, Coelho, R, Liu, M.Y, Xavier, A.V, Legall, J, Bailey, S, Garner, D.C, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P. | Deposit date: | 2001-10-05 | Release date: | 2002-04-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Hybrid Cluster Proteins (Hcps) from Desulfovibrio Desulfuricans Atcc 27774 and Desulfovibrio Vulgaris (Hildenborough): X-Ray Structures at 1.25 A Resolution Using Synchrotron Radiation. J.Biol.Inorg.Chem., 7, 2002
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8UWP
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![BU of 8uwp by Molmil](/molmil-images/mine/8uwp) | Crystal structure of SETDB1 Tudor domain in complex with MR46747 | Descriptor: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-07 | Release date: | 2023-11-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with MR46747 To be published
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7T15
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![BU of 7t15 by Molmil](/molmil-images/mine/7t15) | Hexameric SIVcpz CA | Descriptor: | Capsid protein p24 | Authors: | Jacques, D.A, Dickson, C.F, James, L.C. | Deposit date: | 2021-12-01 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Evasion of cGAS and TRIM5 defines pandemic HIV. Nat Microbiol, 7, 2022
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7SPZ
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![BU of 7spz by Molmil](/molmil-images/mine/7spz) | Nucleotide-free Get3 in two open forms | Descriptor: | ATPase ASNA1 homolog, ZINC ION | Authors: | Fry, M.Y, Maggiolo, A.O, Clemons Jr, W.M. | Deposit date: | 2021-11-04 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structurally derived universal mechanism for the catalytic cycle of the tail-anchored targeting factor Get3. Nat.Struct.Mol.Biol., 29, 2022
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6JRC
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![BU of 6jrc by Molmil](/molmil-images/mine/6jrc) | ZHD complex with hydrolyzed alpha-ZOL | Descriptor: | 2-[(~{E},6~{R},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, POTASSIUM ION, ... | Authors: | Hu, X.J. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of ZHD complex To Be Published
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7T98
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6JIA
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![BU of 6jia by Molmil](/molmil-images/mine/6jia) | Marine bacterial laminarinase mutant E135A complex with laminaritetraose | Descriptor: | CALCIUM ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase | Authors: | Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L. | Deposit date: | 2019-02-20 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase. Appl.Environ.Microbiol., 86, 2020
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6DT3
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![BU of 6dt3 by Molmil](/molmil-images/mine/6dt3) | 1.2 Angstrom Resolution Crystal Structure of Nucleoside Triphosphatase NudI from Klebsiella pneumoniae in Complex with HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nucleoside triphosphatase NudI | Authors: | Minasov, G, Shuvalova, L, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-15 | Release date: | 2018-06-27 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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7T14
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![BU of 7t14 by Molmil](/molmil-images/mine/7t14) | Hexameric SIVmac CA | Descriptor: | Capsid protein p24 | Authors: | Jacques, D.A, James, L.C. | Deposit date: | 2021-12-01 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evasion of cGAS and TRIM5 defines pandemic HIV. Nat Microbiol, 7, 2022
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6JIO
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![BU of 6jio by Molmil](/molmil-images/mine/6jio) | Human LXR-beta in complex with a ligand | Descriptor: | Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-02-22 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay. Eur.J.Med.Chem., 178, 2019
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7SPY
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![BU of 7spy by Molmil](/molmil-images/mine/7spy) | Get3 bound to ATP from G. intestinalis in the closed form | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase ASNA1 homolog, MAGNESIUM ION, ... | Authors: | Fry, M.Y, Maggiolo, A.O, Clemons Jr, W.M. | Deposit date: | 2021-11-04 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structurally derived universal mechanism for the catalytic cycle of the tail-anchored targeting factor Get3. Nat.Struct.Mol.Biol., 29, 2022
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6JEV
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8V1P
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![BU of 8v1p by Molmil](/molmil-images/mine/8v1p) | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092 | Descriptor: | Glucose-induced degradation protein 4 homolog, N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide | Authors: | Dong, C, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-21 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092 To be published
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7SQL
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![BU of 7sql by Molmil](/molmil-images/mine/7sql) | Crystal structure of human uridine-cytidine kinase 2 complexed with a weak small molecule inhibitor | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide, ... | Authors: | Mashayekh, S, Stunkard, L.M, Kienle, M, Mathews, I.I, Khosla, C. | Deposit date: | 2021-11-05 | Release date: | 2022-10-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Prototyping of Allosteric Inhibitors of Human Uridine/Cytidine Kinase 2 (UCK2). Biochemistry, 61, 2022
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6JGA
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![BU of 6jga by Molmil](/molmil-images/mine/6jga) | Crystal structure of barley exohydrolaseI W286F in complex with 4'-nitrophenyl thiolaminaribioside | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-02-13 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6JK4
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![BU of 6jk4 by Molmil](/molmil-images/mine/6jk4) | Ca2+-dependent type II antifreeze protein | Descriptor: | CALCIUM ION, Type II antifreeze protein | Authors: | Arai, T, Tsuda, S, Kondo, H, Nishimiya, Y. | Deposit date: | 2019-02-27 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Calcium-Binding Generates the Semi-Clathrate Waters on a Type II Antifreeze Protein to Adsorb onto an Ice Crystal Surface. Biomolecules, 9, 2019
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8UG3
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![BU of 8ug3 by Molmil](/molmil-images/mine/8ug3) | Crystal structure of KHK-C and compound 23 | Descriptor: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | Authors: | Durbin, J.D, Guo, S.Y. | Deposit date: | 2023-10-05 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor. J.Med.Chem., 66, 2023
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6DFS
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![BU of 6dfs by Molmil](/molmil-images/mine/6dfs) | mouse TCR I.29 in complex with IAg7-p8E9E6ss | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class II histocompatibility antigen, A-D alpha chain, ... | Authors: | Wang, Y, Dai, S. | Deposit date: | 2018-05-15 | Release date: | 2019-04-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
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8V15
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![BU of 8v15 by Molmil](/molmil-images/mine/8v15) | Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol | Descriptor: | (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ... | Authors: | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | Deposit date: | 2023-11-19 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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5LS9
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![BU of 5ls9 by Molmil](/molmil-images/mine/5ls9) | Humanized Archaeal ferritin | Descriptor: | Ferritin, putative, MAGNESIUM ION | Authors: | Baiocco, P, Trabuco, M.C, Boffi, A. | Deposit date: | 2016-08-23 | Release date: | 2016-11-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Humanized archaeal ferritin as a tool for cell targeted delivery. Nanoscale, 9, 2017
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