4RAO
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![BU of 4rao by Molmil](/molmil-images/mine/4rao) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.871 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4N7E
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![BU of 4n7e by Molmil](/molmil-images/mine/4n7e) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469 | Descriptor: | 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | Deposit date: | 2013-10-15 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin. Bioorg.Med.Chem.Lett., 24, 2014
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4QQE
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![BU of 4qqe by Molmil](/molmil-images/mine/4qqe) | Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | Authors: | Dong, A, Dombrovski, L, Wernimont, A, Smil, D, Getlik, M, Senisterra, G, Poda, G, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345 To be Published
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4LBD
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![BU of 4lbd by Molmil](/molmil-images/mine/4lbd) | LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961 | Descriptor: | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA | Authors: | Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 1998-02-04 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational adaptation of agonists to the human nuclear receptor RAR gamma. Nat.Struct.Biol., 5, 1998
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4QD7
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![BU of 4qd7 by Molmil](/molmil-images/mine/4qd7) | |
4QDB
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4QOS
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![BU of 4qos by Molmil](/molmil-images/mine/4qos) | CRYSTAL STRUCTURE OF PSPF(1-265) E108Q MUTANT bound to ADP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Darbari, V.C, Lawton, E, Lu, D, Burrows, P.C, Wiesler, S, Joly, N, Zhang, N, Zhang, X, Buck, M. | Deposit date: | 2014-06-20 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Molecular basis of nucleotide-dependent substrate engagement and remodeling by an AAA+ activator. Nucleic Acids Res., 42, 2014
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4QD8
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4LN9
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4RAS
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![BU of 4ras by Molmil](/molmil-images/mine/4ras) | Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation | Descriptor: | CHLORIDE ION, COBALAMIN, IRON/SULFUR CLUSTER, ... | Authors: | Quezada, C.P, Payne, K.A.P, Leys, D. | Deposit date: | 2014-09-11 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation. Nature, 517, 2015
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4LDJ
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![BU of 4ldj by Molmil](/molmil-images/mine/4ldj) | Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D. | Deposit date: | 2013-06-24 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C. Proc.Natl.Acad.Sci.USA, 111, 2014
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4N8O
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4RAQ
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![BU of 4raq by Molmil](/molmil-images/mine/4raq) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4MWG
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![BU of 4mwg by Molmil](/molmil-images/mine/4mwg) | Crystal structure of Burkholderia xenovorans DmrB apo form: A Cubic Protein Cage for Redox Transfer | Descriptor: | Putative dihydromethanopterin reductase (AfpA), SULFATE ION | Authors: | Bobik, T.A, Cascio, D, Jorda, J, McNamara, D.E, Bustos, C, Wang, T.C, Rasche, M.E, Yeates, T.O. | Deposit date: | 2013-09-24 | Release date: | 2014-02-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of dihydromethanopterin reductase, a cubic protein cage for redox transfer J.Biol.Chem., 289, 2014
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4RCW
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4QPP
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![BU of 4qpp by Molmil](/molmil-images/mine/4qpp) | The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE | Descriptor: | 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ... | Authors: | Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-24 | Release date: | 2014-08-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Crystal Structure of Human HMT1
hnRNP methyltransferase-like protein 6 in complex with compound DS-421 To be Published
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4R12
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![BU of 4r12 by Molmil](/molmil-images/mine/4r12) | Crystal structure of the gamma-secretase component Nicastrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Xie, T, Yan, C, Zhou, R, Zhao, Y, Sun, L, Yang, G, Lu, P, Ma, D, Shi, Y. | Deposit date: | 2014-08-03 | Release date: | 2014-09-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the gamma-secretase component nicastrin. Proc.Natl.Acad.Sci.USA, 111, 2014
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4LHD
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![BU of 4lhd by Molmil](/molmil-images/mine/4lhd) | Crystal structure of Synechocystis sp. PCC 6803 glycine decarboxylase (P-protein), holo form with pyridoxal-5'-phosphate and glycine, closed flexible loop | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, GLYCINE, ... | Authors: | Hasse, D, Andersson, E, Carlsson, G, Masloboy, A, Hagemann, M, Bauwe, H, Andersson, I. | Deposit date: | 2013-07-01 | Release date: | 2013-10-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7959 Å) | Cite: | Structure of the Homodimeric Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803 Suggests a Mechanism for Redox Regulation. J.Biol.Chem., 288, 2013
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4LGL
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![BU of 4lgl by Molmil](/molmil-images/mine/4lgl) | Crystal Structure of Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803, apo form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Glycine dehydrogenase [decarboxylating] | Authors: | Hasse, D, Andersson, E, Carlsson, G, Masloboy, A, Hagemann, M, Bauwe, H, Andersson, I. | Deposit date: | 2013-06-28 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0004 Å) | Cite: | Structure of the Homodimeric Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803 Suggests a Mechanism for Redox Regulation. J.Biol.Chem., 288, 2013
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4LHC
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![BU of 4lhc by Molmil](/molmil-images/mine/4lhc) | Crystal structure of Synechocystis sp. PCC 6803 glycine decarboxylase (P-protein), holo form with pyridoxal-5'-phosphate and glycine | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, BICINE, ... | Authors: | Hasse, D, Andersson, E, Carlsson, G, Masloboy, A, Hagemann, M, Bauwe, H, Andersson, I. | Deposit date: | 2013-07-01 | Release date: | 2013-10-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure of the Homodimeric Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803 Suggests a Mechanism for Redox Regulation. J.Biol.Chem., 288, 2013
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4LKS
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![BU of 4lks by Molmil](/molmil-images/mine/4lks) | Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with galactose | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | Authors: | Grondin, J.M, Duan, D, Kirlin, A.C, Furness, H.S, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-08 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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4RAC
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![BU of 4rac by Molmil](/molmil-images/mine/4rac) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4RC1
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![BU of 4rc1 by Molmil](/molmil-images/mine/4rc1) | Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii with PRPP | Descriptor: | PHOSPHATE ION, UPF0264 protein MJ1099 | Authors: | Bobik, T.A, Morales, E.J, Cascio, D, Sawaya, M.R, Yeates, T.O, Rasche, M.E. | Deposit date: | 2014-09-14 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the methanofuran/methanopterin-biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4LI1
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6HVD
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![BU of 6hvd by Molmil](/molmil-images/mine/6hvd) | Human SLK bound to a maleimide inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione, STE20-like serine/threonine-protein kinase, ... | Authors: | Sorrell, F.J, Berger, B.T, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2018-10-10 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Human SLK bound to a maleimide inhibitor To Be Published
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