4V15
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![BU of 4v15 by Molmil](/molmil-images/mine/4v15) | Crystal structure of D-threonine aldolase from Alcaligenes xylosoxidans | Descriptor: | D-THREONINE ALDOLASE, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Uhl, M.K, Oberdorfer, G, Steinkellner, G, Riegler, L, Schuermann, M, Gruber, K. | Deposit date: | 2014-09-24 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism. Plos One, 10, 2015
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4V1Y
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![BU of 4v1y by Molmil](/molmil-images/mine/4v1y) | The structure of the hexameric atrazine chlorohydrolase, AtzA | Descriptor: | 1,2-ETHANEDIOL, ATRAZINE CHLOROHYDROLASE, CHLORIDE ION, ... | Authors: | Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C. | Deposit date: | 2014-10-04 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Structure of the Hexameric Atrazine Chlorohydrolase Atza. Acta Crystallogr.,Sect.D, 71, 2015
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7LRY
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![BU of 7lry by Molmil](/molmil-images/mine/7lry) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | Descriptor: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-17 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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4W1X
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![BU of 4w1x by Molmil](/molmil-images/mine/4w1x) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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5VQM
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![BU of 5vqm by Molmil](/molmil-images/mine/5vqm) | Clostridium difficile TcdB-GTD bound to PA41 Fab | Descriptor: | PA41 FAB HEAVY CHAIN, PA41 FAB LIGHT CHAIN, Toxin B | Authors: | Kroh, H.K, Spiller, B.W, Lacy, D.B. | Deposit date: | 2017-05-09 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | A neutralizing antibody that blocks delivery of the enzymatic cargo of Clostridium difficile toxin TcdB into host cells. J. Biol. Chem., 293, 2018
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4W4R
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![BU of 4w4r by Molmil](/molmil-images/mine/4w4r) | Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum | Descriptor: | Uncharacterized protein blr2150 | Authors: | Liu, W, Zheng, Y, Huang, C.H, Ko, T.P, Guo, R.T. | Deposit date: | 2014-08-15 | Release date: | 2015-01-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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4W5B
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![BU of 4w5b by Molmil](/molmil-images/mine/4w5b) | |
6QV1
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![BU of 6qv1 by Molmil](/molmil-images/mine/6qv1) | Structure of ATPgS-bound outward-facing TM287/288 in complex with nanobody Nb_TM1 | Descriptor: | ABC transporter, ATP-binding protein, MAGNESIUM ION, ... | Authors: | Hutter, C.A.J, Huerlimann, L.M, Zimmermann, I, Egloff, P, Seeger, M.A. | Deposit date: | 2019-03-01 | Release date: | 2019-05-29 | Last modified: | 2019-06-05 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | The extracellular gate shapes the energy profile of an ABC exporter. Nat Commun, 10, 2019
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6QV2
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![BU of 6qv2 by Molmil](/molmil-images/mine/6qv2) | Structure of ATPgS-bound outward-facing TM287/288 in complex with nanobody Nb_TM#2 | Descriptor: | ABC transporter, ATP-binding protein, MAGNESIUM ION, ... | Authors: | Hutter, C.A.J, Huerlimann, L.M, Zimmermann, I, Egloff, P, Seeger, M.A. | Deposit date: | 2019-03-01 | Release date: | 2019-05-29 | Last modified: | 2019-06-05 | Method: | X-RAY DIFFRACTION (4.23 Å) | Cite: | The extracellular gate shapes the energy profile of an ABC exporter. Nat Commun, 10, 2019
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4W61
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![BU of 4w61 by Molmil](/molmil-images/mine/4w61) | |
5VEX
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![BU of 5vex by Molmil](/molmil-images/mine/5vex) | Structure of the human GLP-1 receptor complex with NNC0640 | Descriptor: | 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | Deposit date: | 2017-04-05 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. Nature, 546, 2017
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6DLU
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![BU of 6dlu by Molmil](/molmil-images/mine/6dlu) | Cryo-EM of the GMPPCP-bound human dynamin-1 polymer assembled on the membrane in the constricted state | Descriptor: | Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E. | Deposit date: | 2018-06-02 | Release date: | 2018-08-01 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM of the dynamin polymer assembled on lipid membrane. Nature, 560, 2018
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5VUP
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![BU of 5vup by Molmil](/molmil-images/mine/5vup) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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4W5I
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![BU of 4w5i by Molmil](/molmil-images/mine/4w5i) | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | Descriptor: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-18 | Release date: | 2015-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. Bioorg.Med.Chem., 23, 2015
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7LSK
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![BU of 7lsk by Molmil](/molmil-images/mine/7lsk) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | Descriptor: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-18 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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5VVA
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![BU of 5vva by Molmil](/molmil-images/mine/5vva) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | Descriptor: | 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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7LVY
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![BU of 7lvy by Molmil](/molmil-images/mine/7lvy) | Crystal Structure of Tetur04g02350 | Descriptor: | UDP-glycosyltransferase 203A2, URIDINE-5'-DIPHOSPHATE, beta-D-glucopyranose | Authors: | Danehsian, L, Kluza, A, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | Deposit date: | 2021-02-26 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Tetur04g02350 To Be Published
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5VVN
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![BU of 5vvn by Molmil](/molmil-images/mine/5vvn) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile | Descriptor: | 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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5VI8
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![BU of 5vi8 by Molmil](/molmil-images/mine/5vi8) | Structure of a mycobacterium smegmatis transcription initiation complex with an upstream-fork promoter fragment | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Hubin, E.A, Campbell, E.A, Darst, S.A. | Deposit date: | 2017-04-14 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures. Nat Commun, 8, 2017
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4W5Z
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![BU of 4w5z by Molmil](/molmil-images/mine/4w5z) | |
7LD9
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![BU of 7ld9 by Molmil](/molmil-images/mine/7ld9) | Structure of human GGT1 in complex with ABBA | Descriptor: | (2R)-2-amino-4-boronobutanoic acid, (2S)-2-amino-4-boronobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Terzyan, S.S, Hanigan, M. | Deposit date: | 2021-01-12 | Release date: | 2022-02-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Design and evaluation of novel analogs of 2-amino-4-boronobutanoic acid (ABBA) as inhibitors of human gamma-glutamyl transpeptidase. Bioorg.Med.Chem., 73, 2022
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4W66
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![BU of 4w66 by Molmil](/molmil-images/mine/4w66) | |
5VWK
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![BU of 5vwk by Molmil](/molmil-images/mine/5vwk) | Crystal structure of human Scribble PDZ1:Beta-PIX complex | Descriptor: | Beta-PIX, Protein scribble homolog, SULFATE ION | Authors: | Lim, K.Y.B, Kvansakul, M. | Deposit date: | 2017-05-22 | Release date: | 2017-11-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for the differential interaction of Scribble PDZ domains with the guanine nucleotide exchange factor beta-PIX. J. Biol. Chem., 292, 2017
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7LVB
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![BU of 7lvb by Molmil](/molmil-images/mine/7lvb) | CHOLERA TOXIN B SUBUNIT WITH ATTACHED SIV EPITOPE | Descriptor: | CHLORIDE ION, Cholera enterotoxin B-subunit,Surface protein gp120, TRIETHYLENE GLYCOL, ... | Authors: | Patskovsky, Y, Cardozo, T.J. | Deposit date: | 2021-02-24 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Cholera toxin B scaffolded, focused SIV V2 epitope elicits antibodies that influence the risk of SIV mac251 acquisition in macaques. Front Immunol, 14, 2023
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7LRX
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![BU of 7lrx by Molmil](/molmil-images/mine/7lrx) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dCTP, and CA(2+) ion | Descriptor: | 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, AMMONIUM ION, CALCIUM ION, ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-17 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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