1QWT
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6S4A
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![BU of 6s4a by Molmil](/molmil-images/mine/6s4a) | Structure of human MTHFD2 in complex with TH9028 | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4F
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![BU of 6s4f by Molmil](/molmil-images/mine/6s4f) | Structure of human MTHFD2 in complex with TH9619 | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4E
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![BU of 6s4e by Molmil](/molmil-images/mine/6s4e) | Structure of human MTHFD2 in complex with TH7299 | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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8FX2
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![BU of 8fx2 by Molmil](/molmil-images/mine/8fx2) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-HP | Descriptor: | (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | Deposit date: | 2023-01-23 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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8FX3
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![BU of 8fx3 by Molmil](/molmil-images/mine/8fx3) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | Deposit date: | 2023-01-23 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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8FWY
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![BU of 8fwy by Molmil](/molmil-images/mine/8fwy) | Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to the dead-end complex xanthine and pyrophosphate | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, XANTHINE | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | Deposit date: | 2023-01-23 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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4X3E
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7B21
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![BU of 7b21 by Molmil](/molmil-images/mine/7b21) | The X183 domain from Cellvibrio japonicus Cbp2D | Descriptor: | 1,2-ETHANEDIOL, Carbohydrate binding protein, putative, ... | Authors: | Branch, J, Hemsworth, G.R. | Deposit date: | 2020-11-25 | Release date: | 2021-07-21 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | C-type cytochrome-initiated reduction of bacterial lytic polysaccharide monooxygenases. Biochem.J., 478, 2021
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1FBT
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![BU of 1fbt by Molmil](/molmil-images/mine/1fbt) | THE BISPHOSPHATASE DOMAIN OF THE BIFUNCTIONAL RAT LIVER 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE | Descriptor: | FRUCTOSE-2,6-BISPHOSPHATASE, PHOSPHATE ION | Authors: | Lee, Y.-H, Ogata, C, Pflugrath, J.W, Levitt, D.G, Sarma, R, Banaszak, L.J, Pilkis, S.J. | Deposit date: | 1996-03-08 | Release date: | 1997-07-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the rat liver fructose-2,6-bisphosphatase based on selenomethionine multiwavelength anomalous dispersion phases. Biochemistry, 35, 1996
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8GOD
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![BU of 8god by Molmil](/molmil-images/mine/8god) | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | Deposit date: | 2022-08-24 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4. Sci Rep, 13, 2023
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6HPV
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![BU of 6hpv by Molmil](/molmil-images/mine/6hpv) | Crystal structure of mouse fetuin-B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B | Authors: | Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L. | Deposit date: | 2018-09-22 | Release date: | 2019-02-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition. Iucrj, 6, 2019
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8FOX
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![BU of 8fox by Molmil](/molmil-images/mine/8fox) | AbeH (Tryptophan-5-halogenase) | Descriptor: | SULFATE ION, Tryptophan 5-halogenase | Authors: | Ashaduzzaman, M, Bellizzi, J.J. | Deposit date: | 2023-01-03 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH. Biorxiv, 2023
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8FOV
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![BU of 8fov by Molmil](/molmil-images/mine/8fov) | AbeH (Tryptophan-5-halogenase) bound to FAD and Cl | Descriptor: | ACETATE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Ashaduzzaman, M, Bellizzi, J.J. | Deposit date: | 2023-01-03 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH. Biorxiv, 2023
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5NL6
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7AEL
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![BU of 7ael by Molmil](/molmil-images/mine/7ael) | alpha 1-antitrypsin (C232S) complexed with GSK716 | Descriptor: | Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide | Authors: | Chung, C. | Deposit date: | 2020-09-17 | Release date: | 2021-03-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin. Embo Mol Med, 13, 2021
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6MHR
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![BU of 6mhr by Molmil](/molmil-images/mine/6mhr) | Structure of the human 4-1BB / Urelumab Fab complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ... | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-18 | Release date: | 2018-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab. Nat Commun, 9, 2018
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6MI2
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![BU of 6mi2 by Molmil](/molmil-images/mine/6mi2) | Structure of the human 4-1BB / Utomilumab Fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-19 | Release date: | 2018-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab. Nat Commun, 9, 2018
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6SL3
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6MGP
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![BU of 6mgp by Molmil](/molmil-images/mine/6mgp) | Structure of human 4-1BB / 4-1BBL complex | Descriptor: | ACETATE ION, GLYCEROL, Tumor necrosis factor ligand superfamily member 9, ... | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-14 | Release date: | 2018-11-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab Nat Commun, 9, 2018
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6SL7
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6G9E
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![BU of 6g9e by Molmil](/molmil-images/mine/6g9e) | Crystal structure of immunomodulatory active chitinase from Trichuris suis - TsES1 - 6 molecules in ASU | Descriptor: | 1,2-ETHANEDIOL, Immunomodulatory active chitinase | Authors: | Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease. J Immunol Res, 2021, 2021
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6G9C
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![BU of 6g9c by Molmil](/molmil-images/mine/6g9c) | Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1 | Descriptor: | 1,2-ETHANEDIOL, Immunomodulatory active chitinase | Authors: | Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease. J Immunol Res, 2021, 2021
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6SL2
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![BU of 6sl2 by Molmil](/molmil-images/mine/6sl2) | ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative, ... | Authors: | Pinotsis, N, Khan, M.B, Djinovic-Carugo, K. | Deposit date: | 2019-08-18 | Release date: | 2020-08-26 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin. Proc.Natl.Acad.Sci.USA, 117, 2020
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6MGE
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![BU of 6mge by Molmil](/molmil-images/mine/6mge) | Structure of human 4-1BBL | Descriptor: | GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9 | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-13 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab. Nat Commun, 9, 2018
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