4F4V
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![BU of 4f4v by Molmil](/molmil-images/mine/4f4v) | Human Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | Deposit date: | 2012-05-11 | Release date: | 2013-05-15 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.637 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
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4F51
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![BU of 4f51 by Molmil](/molmil-images/mine/4f51) | Human Insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R. | Deposit date: | 2012-05-11 | Release date: | 2013-05-15 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.637 Å) | Cite: | Structural meta-analysis of regular human insulin in pharmaceutical formulations. Eur J Pharm Biopharm, 85, 2013
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4FGD
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![BU of 4fgd by Molmil](/molmil-images/mine/4fgd) | Structure of the effector protein Tse1 from Pseudomonas aeruginosa, selenomethionine variant | Descriptor: | CHLORIDE ION, THIOCYANATE ION, Tse1 | Authors: | Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A. | Deposit date: | 2012-06-04 | Release date: | 2012-06-20 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa. Plos One, 7, 2012
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6D4D
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![BU of 6d4d by Molmil](/molmil-images/mine/6d4d) | Crystal structure of the PTP epsilon D1 domain | Descriptor: | Receptor-type tyrosine-protein phosphatase epsilon | Authors: | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | Deposit date: | 2018-04-18 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design. Acta Crystallogr D Struct Biol, 74, 2018
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6OI9
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![BU of 6oi9 by Molmil](/molmil-images/mine/6oi9) | Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | Deposit date: | 2019-04-09 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase. J.Med.Chem., 62, 2019
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6DJD
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![BU of 6djd by Molmil](/molmil-images/mine/6djd) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak) | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 2019
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4FGE
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![BU of 4fge by Molmil](/molmil-images/mine/4fge) | Structure of the effector protein Tse1 from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, GLYCEROL, THIOCYANATE ION, ... | Authors: | Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A. | Deposit date: | 2012-06-04 | Release date: | 2012-06-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa. Plos One, 7, 2012
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4FHD
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![BU of 4fhd by Molmil](/molmil-images/mine/4fhd) | Spore photoproduct lyase complexed with dinucleoside spore photoproduct | Descriptor: | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione, IRON/SULFUR CLUSTER, PYROPHOSPHATE 2-, ... | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme. Nucleic Acids Res., 40, 2012
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4FHG
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![BU of 4fhg by Molmil](/molmil-images/mine/4fhg) | Spore photoproduct lyase C140S mutant | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, SULFATE ION, ... | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme. Nucleic Acids Res., 40, 2012
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6DHU
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![BU of 6dhu by Molmil](/molmil-images/mine/6dhu) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak | Descriptor: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-21 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DIE
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![BU of 6die by Molmil](/molmil-images/mine/6die) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak | Descriptor: | 1,2-ETHANEDIOL, Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-23 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJF
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![BU of 6djf by Molmil](/molmil-images/mine/6djf) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJE
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![BU of 6dje by Molmil](/molmil-images/mine/6dje) | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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7MX1
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![BU of 7mx1 by Molmil](/molmil-images/mine/7mx1) | PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog | Descriptor: | ACE-PRO-LEU-ALA-SER-TPO, N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide, Serine/threonine-protein kinase PLK1 | Authors: | Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R. | Deposit date: | 2021-05-17 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles. Org.Biomol.Chem., 19, 2021
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6OI8
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![BU of 6oi8 by Molmil](/molmil-images/mine/6oi8) | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | Deposit date: | 2019-04-09 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase. J.Med.Chem., 62, 2019
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6OJH
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![BU of 6ojh by Molmil](/molmil-images/mine/6ojh) | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine | Descriptor: | 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine, ACETATE ION, Biotin carboxylase, ... | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | Deposit date: | 2019-04-11 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine To Be Published
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6GYB
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![BU of 6gyb by Molmil](/molmil-images/mine/6gyb) | Cryo-EM structure of the bacteria-killing type IV secretion system core complex from Xanthomonas citri | Descriptor: | VirB10 protein, VirB7, VirB9 protein | Authors: | Sgro, G.G, Costa, T.R.D, Farah, C.S, Waksman, G. | Deposit date: | 2018-06-28 | Release date: | 2018-10-24 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Cryo-EM structure of the bacteria-killing type IV secretion system core complex from Xanthomonas citri. Nat Microbiol, 3, 2018
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6P4Y
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![BU of 6p4y by Molmil](/molmil-images/mine/6p4y) | |
6P67
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![BU of 6p67 by Molmil](/molmil-images/mine/6p67) | Crystal Structure of a Complex of human IL-7Ralpha with an anti-IL-7Ralpha 2B8 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-IL-7R 2B8 Fab heavy chain, ... | Authors: | Walsh, S.T.R, Kashi, L, Kohnhorst, C.L. | Deposit date: | 2019-06-03 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models. Leukemia, 34, 2020
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6P7J
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![BU of 6p7j by Molmil](/molmil-images/mine/6p7j) | |
6P50
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![BU of 6p50 by Molmil](/molmil-images/mine/6p50) | Crystal Structure of a Complex of human IL-7Ralpha with an anti-IL-7Ralpha Fab 4A10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-7 receptor subunit alpha, anti-IL-7R 4A10 Fab heavy chain, ... | Authors: | Walsh, S.T.R, Kashi, L, Kohnhorst, C.L. | Deposit date: | 2019-05-29 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models. Leukemia, 34, 2020
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6HRV
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![BU of 6hrv by Molmil](/molmil-images/mine/6hrv) | |
6H5L
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![BU of 6h5l by Molmil](/molmil-images/mine/6h5l) | |
6PAY
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![BU of 6pay by Molmil](/molmil-images/mine/6pay) | Structure of HsICDH1:Mg(II):ICT:NADPH(50%) complex reveals structural basis for observation of half-sites reactivity | Descriptor: | FORMIC ACID, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Silvaggi, N.R, Melkonian, T.R, Roman, J.V, Moran, G.R. | Deposit date: | 2019-06-12 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Transient-State Analysis of Human Isocitrate Dehydrogenase I: Accounting for the Interconversion of Active and Non-Active Conformational States. Biochemistry, 58, 2019
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6HIF
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![BU of 6hif by Molmil](/molmil-images/mine/6hif) | Kuenenia stuttgartiensis hydrazine dehydrogenase complex | Descriptor: | GLYCEROL, HEME C, Hydrazine dehydrogenase, ... | Authors: | Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M. | Deposit date: | 2018-08-29 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A 192-heme electron transfer network in the hydrazine dehydrogenase complex. Sci Adv, 5, 2019
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