7JSK
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![BU of 7jsk by Molmil](/molmil-images/mine/7jsk) | Structure of the NaCT-Citrate complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SODIUM ION, ... | Authors: | Sauer, D.B, Wang, B, Song, J, Rice, W.J, Wang, D.N. | Deposit date: | 2020-08-14 | Release date: | 2021-02-24 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structure and inhibition mechanism of the human citrate transporter NaCT. Nature, 591, 2021
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5IH9
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![BU of 5ih9 by Molmil](/molmil-images/mine/5ih9) | MELK in complex with NVS-MELK8A | Descriptor: | 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Puleo, D.E. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
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5LO1
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![BU of 5lo1 by Molmil](/molmil-images/mine/5lo1) | HSP90 WITH indazole derivative | Descriptor: | 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide, Heat shock protein HSP 90-alpha | Authors: | Graedler, U, Amaral, M, Schuetz, D. | Deposit date: | 2016-08-08 | Release date: | 2017-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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6UKJ
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![BU of 6ukj by Molmil](/molmil-images/mine/6ukj) | Single-Particle Cryo-EM Structure of Plasmodium falciparum Chloroquine Resistance Transporter (PfCRT) 7G8 Isoform | Descriptor: | CHOLESTEROL HEMISUCCINATE, Chloroquine resistance transporter, Fab Heavy Chain, ... | Authors: | Kim, J, Tan, Y.Z, Wicht, K.J, Erramilli, S.K, Dhingra, S.K, Okombo, J, Vendome, J, Hagenah, L.M, Giacometti, S.I, Warren, A.L, Nosol, K, Roepe, P.D, Potter, C.S, Carragher, B, Kossiakoff, A.A, Quick, M, Fidock, D.A, Mancia, F. | Deposit date: | 2019-10-05 | Release date: | 2019-12-04 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure and drug resistance of the Plasmodium falciparum transporter PfCRT. Nature, 576, 2019
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8JZU
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![BU of 8jzu by Molmil](/molmil-images/mine/8jzu) | SLC15A4_TASL complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | Deposit date: | 2023-07-06 | Release date: | 2023-09-27 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling. Nat Commun, 14, 2023
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5BRN
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![BU of 5brn by Molmil](/molmil-images/mine/5brn) | Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate | Descriptor: | (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | Deposit date: | 2015-05-31 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases. Chemmedchem, 10, 2015
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4XFM
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![BU of 4xfm by Molmil](/molmil-images/mine/4xfm) | Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer | Descriptor: | THREONATE ION, Uncharacterized protein | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-27 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA, 113, 2016
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8JZR
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![BU of 8jzr by Molmil](/molmil-images/mine/8jzr) | Outward_facing SLC15A4 monomer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | Deposit date: | 2023-07-06 | Release date: | 2023-09-27 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling. Nat Commun, 14, 2023
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5LT7
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![BU of 5lt7 by Molmil](/molmil-images/mine/5lt7) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-06 | Release date: | 2016-10-05 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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6XT4
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![BU of 6xt4 by Molmil](/molmil-images/mine/6xt4) | |
5M39
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![BU of 5m39 by Molmil](/molmil-images/mine/5m39) | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 1 | Descriptor: | 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | Authors: | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | Deposit date: | 2016-10-14 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design. J. Med. Chem., 60, 2017
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5B8I
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![BU of 5b8i by Molmil](/molmil-images/mine/5b8i) | Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E. | Deposit date: | 2015-05-03 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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6R8U
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![BU of 6r8u by Molmil](/molmil-images/mine/6r8u) | Escherichia coli AGPase in complex with AMP. | Descriptor: | ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | Deposit date: | 2019-04-02 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM Biorxiv, 2020
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7NEA
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![BU of 7nea by Molmil](/molmil-images/mine/7nea) | Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M3 mutant). | Descriptor: | Branched-chain-amino-acid aminotransferase, CHLORIDE ION, GLYCEROL, ... | Authors: | Boyko, K.M, Petrova, T, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Suplatov, D.A, Popov, V.O, Bezsudnova, E.Y. | Deposit date: | 2021-02-03 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the role of the residues in the active site of the transaminase from Thermobaculum terrenum. Plos One, 16, 2021
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6R91
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![BU of 6r91 by Molmil](/molmil-images/mine/6r91) | Cryo-EM structure of NCP_THF2(-3)-UV-DDB | Descriptor: | DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ... | Authors: | Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H. | Deposit date: | 2019-04-02 | Release date: | 2019-06-12 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | DNA damage detection in nucleosomes involves DNA register shifting. Nature, 571, 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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7NEB
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![BU of 7neb by Molmil](/molmil-images/mine/7neb) | Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M4 mutant) | Descriptor: | Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | Authors: | Boyko, K.M, Petrova, T, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Suplatov, D.A, Popov, V.O, Bezsudnova, E.Y. | Deposit date: | 2021-02-03 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the role of the residues in the active site of the transaminase from Thermobaculum terrenum. Plos One, 16, 2021
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6UGT
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![BU of 6ugt by Molmil](/molmil-images/mine/6ugt) | Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a I-centered orthorhombic crystal form, Lot A | Descriptor: | 1,2-ETHANEDIOL, PF06438179 Fab Heavy Chain, PF06438179 Fab Light Chain | Authors: | Lerch, T.F, Sharpe, P, Mayclin, S.J, Edwards, T.E, Polleck, S, Rouse, J.C, Conlan, H.D. | Deposit date: | 2019-09-26 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar. BioDrugs, 34, 2020
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6B67
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![BU of 6b67 by Molmil](/molmil-images/mine/6b67) | Human PP2Calpha (PPM1A) complexed with cyclic peptide c(MpSIpYVA) | Descriptor: | CALCIUM ION, Protein phosphatase 1A, cyclic peptide c(MpSIpYVA) | Authors: | Dyda, F, Kosek, D. | Deposit date: | 2017-10-01 | Release date: | 2018-04-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A trapped human PPM1A-phosphopeptide complex reveals structural features critical for regulation of PPM protein phosphatase activity. J. Biol. Chem., 293, 2018
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7AH2
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8GA3
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![BU of 8ga3 by Molmil](/molmil-images/mine/8ga3) | CLC-ec1 R230C/L249C/C85A at pH 4.5 100mM Cl Turn | Descriptor: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA | Authors: | Fortea, E, Lee, S, Argyos, Y, Chadda, R, Ciftci, D, Huysmans, G, Robertson, J.L, Boudker, O, Accardi, A. | Deposit date: | 2023-02-22 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of pH-dependent activation in a CLC transporter. Nat.Struct.Mol.Biol., 31, 2024
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8GA1
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![BU of 8ga1 by Molmil](/molmil-images/mine/8ga1) | CLC-ec1 R230C/L249C/C85A at pH 4.5 100mM Cl Swap | Descriptor: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA | Authors: | Fortea, E, Lee, S, Argyos, Y, Chadda, R, Ciftci, D, Huysmans, G, Robertson, J.L, Boudker, O, Accardi, A. | Deposit date: | 2023-02-22 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis of pH-dependent activation in a CLC transporter. Nat.Struct.Mol.Biol., 31, 2024
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5J36
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![BU of 5j36 by Molmil](/molmil-images/mine/5j36) | Crystal structure of 60-mer BFDV Capsid Protein | Descriptor: | Beak and feather disease virus capsid protein, PHOSPHATE ION | Authors: | Sarker, S, Raidal, S, Aragao, D, Forwood, J.K. | Deposit date: | 2016-03-30 | Release date: | 2016-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural insights into the assembly and regulation of distinct viral capsid complexes. Nat Commun, 7, 2016
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7NF2
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7NF4
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![BU of 7nf4 by Molmil](/molmil-images/mine/7nf4) | |