6DAX
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![BU of 6dax by Molmil](/molmil-images/mine/6dax) | X-ray crystal structure of VioC bound to Fe(II), L-homoarginine, and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
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5XEW
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![BU of 5xew by Molmil](/molmil-images/mine/5xew) | Crystal structure of the [Ni2+-(chromomycin A3)2]-CCG repeats complex | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | Authors: | Tseng, W.H, Wu, P.C, Hou, M.H. | Deposit date: | 2017-04-06 | Release date: | 2017-06-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Induced-Fit Recognition of CCG Trinucleotide Repeats by a Nickel-Chromomycin Complex Resulting in Large-Scale DNA Deformation Angew. Chem. Int. Ed. Engl., 56, 2017
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4X4C
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8IEI
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6S0B
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![BU of 6s0b by Molmil](/molmil-images/mine/6s0b) | Crystal Structure of Properdin in complex with the CTC domain of C3/C3b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Properdin, ... | Authors: | van den Bos, R.M, Pearce, N.M, Gros, P. | Deposit date: | 2019-06-14 | Release date: | 2019-09-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.312 Å) | Cite: | Insights Into Enhanced Complement Activation by Structures of Properdin and Its Complex With the C-Terminal Domain of C3b. Front Immunol, 10, 2019
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8IEB
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4XJC
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![BU of 4xjc by Molmil](/molmil-images/mine/4xjc) | dCTP deaminase-dUTPase from Bacillus halodurans | Descriptor: | DI(HYDROXYETHYL)ETHER, Deoxycytidine triphosphate deaminase, MAGNESIUM ION, ... | Authors: | Oehlenschlaeger, C, Loevgreen, M, Willemoes, M, Harris, P. | Deposit date: | 2015-01-08 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Bacillus halodurans Strain C125 Encodes and Synthesizes Enzymes from Both Known Pathways To Form dUMP Directly from Cytosine Deoxyribonucleotides. Appl.Environ.Microbiol., 81, 2015
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8PM0
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6O5E
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![BU of 6o5e by Molmil](/molmil-images/mine/6o5e) | Crystal structure of the Vitronectin hemopexin-like domain | Descriptor: | CHLORIDE ION, IMIDAZOLE, NITRATE ION, ... | Authors: | Lechtenberg, B.C, Shin, K, Marassi, F.M. | Deposit date: | 2019-03-01 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail. Sci Adv, 5, 2019
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4XHV
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![BU of 4xhv by Molmil](/molmil-images/mine/4xhv) | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | Authors: | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | Deposit date: | 2015-01-06 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function. Nat Commun, 6, 2015
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6ZSK
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1OGY
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![BU of 1ogy by Molmil](/molmil-images/mine/1ogy) | Crystal structure of the heterodimeric nitrate reductase from Rhodobacter sphaeroides | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIHEME CYTOCHROME C NAPB MOLECULE: NITRATE REDUCTASE, HEME C, ... | Authors: | Arnoux, P, Sabaty, M, Alric, J, Frangioni, B, Guigliarelli, B, Adriano, J.-M, Pignol, D. | Deposit date: | 2003-05-19 | Release date: | 2003-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural and Redox Plasticity in the Heterodimeric Periplasmic Nitrate Reductase Nat.Struct.Biol., 10, 2003
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4XOQ
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![BU of 4xoq by Molmil](/molmil-images/mine/4xoq) | F420 complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain) | Descriptor: | COENZYME F420, Coenzyme F420:L-glutamate ligase, SULFATE ION | Authors: | Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J. | Deposit date: | 2015-01-16 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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8S94
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6V9K
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6OTL
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4Q6Z
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![BU of 4q6z by Molmil](/molmil-images/mine/4q6z) | LpoB C-terminal domain from Escherichia coli | Descriptor: | Penicillin-binding protein activator LpoB | Authors: | King, D.T, Strynadka, N.C.J. | Deposit date: | 2014-04-23 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Lipoprotein Outer Membrane Regulator of Penicillin-binding Protein 1B. J.Biol.Chem., 289, 2014
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6P2E
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5TJ5
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![BU of 5tj5 by Molmil](/molmil-images/mine/5tj5) | Atomic model for the membrane-embedded motor of a eukaryotic V-ATPase | Descriptor: | V-type proton ATPase subunit a, V-type proton ATPase subunit c, V-type proton ATPase subunit c', ... | Authors: | Mazhab-Jafari, M.T, Rohou, A, Schmidt, C, Bueler, S.A, Benlekbir, S, Robinson, C.V, Rubinstein, J.L. | Deposit date: | 2016-10-03 | Release date: | 2016-10-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Atomic model for the membrane-embedded VO motor of a eukaryotic V-ATPase. Nature, 539, 2016
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8IUG
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![BU of 8iug by Molmil](/molmil-images/mine/8iug) | Cryo-EM structure of the RC-LH core complex from roseiflexus castenholzii | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ... | Authors: | Wang, G.-L, Qi, C.-H, Yu, L.-J. | Deposit date: | 2023-03-24 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | New insights on the photocomplex of Roseiflexus castenholzii revealed from comparisons of native and carotenoid-depleted complexes. J.Biol.Chem., 299, 2023
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4XX5
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![BU of 4xx5 by Molmil](/molmil-images/mine/4xx5) | Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-01-29 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
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4XZ4
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![BU of 4xz4 by Molmil](/molmil-images/mine/4xz4) | Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-02-03 | Release date: | 2016-02-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
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1FD0
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![BU of 1fd0 by Molmil](/molmil-images/mine/1fd0) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254 | Descriptor: | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | Authors: | Klaholz, B.P, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-07-19 | Release date: | 2002-09-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity. Structure, 10, 2002
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5FTQ
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![BU of 5ftq by Molmil](/molmil-images/mine/5ftq) | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | Descriptor: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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8D1P
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![BU of 8d1p by Molmil](/molmil-images/mine/8d1p) | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine | Descriptor: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues. Front Mol Biosci, 9, 2022
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