7RS1
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![BU of 7rs1 by Molmil](/molmil-images/mine/7rs1) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-21 | Descriptor: | Estrogen receptor, methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-10 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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6QRB
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![BU of 6qrb by Molmil](/molmil-images/mine/6qrb) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m 1 G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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5VU5
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![BU of 5vu5 by Molmil](/molmil-images/mine/5vu5) | TNA polymerase, apo | Descriptor: | DNA polymerase | Authors: | Chim, N, Chaput, J.C. | Deposit date: | 2017-05-18 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for TNA synthesis by an engineered TNA polymerase. Nat Commun, 8, 2017
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5FOR
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![BU of 5for by Molmil](/molmil-images/mine/5for) | Cryptic TIR | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, PENTAETHYLENE GLYCOL, PHOSPHOINOSITIDE 3-KINASE ADAPTER PROTEIN 1 | Authors: | Halabi, S, Gay, N.J, Moncrieffe, M.C. | Deposit date: | 2015-11-25 | Release date: | 2016-12-07 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Toll/Interleukin-1 Receptor (TIR) Domain of the B-cell Adaptor That Links Phosphoinositide Metabolism with the Negative Regulation of the Toll-like Receptor (TLR) Signalosome. J. Biol. Chem., 292, 2017
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6ZBX
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![BU of 6zbx by Molmil](/molmil-images/mine/6zbx) | Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6- alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, ... | Authors: | Schroeder, S, Offen, W.A, Jin, Y, De Boer, C, Enoterpi, J, Marino, L, van der Marel, G.A, Codee, J.D.C, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2020-06-09 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases. Chemistry, 27, 2021
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6QWI
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![BU of 6qwi by Molmil](/molmil-images/mine/6qwi) | Structure of beta-glucosidase A from Paenibacillus polymyxa complexed with multivalent inhibitors. | Descriptor: | (2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol, Beta-glucosidase A | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | Deposit date: | 2019-03-05 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of the inhibition of GH1 beta-glucosidases by multivalent pyrrolidine iminosugars. Bioorg.Chem., 89, 2019
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8Q3S
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6GMG
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![BU of 6gmg by Molmil](/molmil-images/mine/6gmg) | Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, ... | Authors: | Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A. | Deposit date: | 2018-05-25 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase. FEBS J., 285, 2018
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8B3E
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![BU of 8b3e by Molmil](/molmil-images/mine/8b3e) | Variant Surface Glycoprotein VSG397 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 397 | Authors: | Zeelen, J.P, Stebbins, C.E, Dakovic, S, Foti, K. | Deposit date: | 2022-09-16 | Release date: | 2023-01-25 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome. Plos Negl Trop Dis, 17, 2023
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7RRZ
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![BU of 7rrz by Molmil](/molmil-images/mine/7rrz) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 | Descriptor: | (1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-10 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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6QRM
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![BU of 6qrm by Molmil](/molmil-images/mine/6qrm) | HsNMT1 in complex with both MyrCoA and GNCFSKRRAA substrates | Descriptor: | Apoptosis-inducing factor 3, CHLORIDE ION, COENZYME A, ... | Authors: | Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation. Nat Commun, 11, 2020
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6GID
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![BU of 6gid by Molmil](/molmil-images/mine/6gid) | High resolution crystal structure of substrate-free human neprilysin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Moss, S, Subramanian, V, Acharya, K.R. | Deposit date: | 2018-05-10 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structure of substrate-free human neprilysin. J. Struct. Biol., 204, 2018
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8BE1
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![BU of 8be1 by Molmil](/molmil-images/mine/8be1) | SARS-CoV-2 RBD in complex with a Fab fragment of a neutralising antibody mRBD2 | Descriptor: | Antibody heavy chain, Antibody light chain, SULFATE ION, ... | Authors: | Lulla, A, Brear, P, Fischer, K, Hollfelder, F, Hyvonen, M. | Deposit date: | 2022-10-21 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Microfluidics-enabled fluorescence-activated cell sorting of single pathogen-specific antibody secreting cells for the rapid discovery of monoclonal antibodies Biorxiv, 2023
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7LLE
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7RS3
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![BU of 7rs3 by Molmil](/molmil-images/mine/7rs3) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-29 | Descriptor: | (1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CYSTEINE, Estrogen receptor, ... | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-10 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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6YWR
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![BU of 6ywr by Molmil](/molmil-images/mine/6ywr) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148H variant (space group C2) | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-04-30 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures. Proteins, 2021
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6BU6
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![BU of 6bu6 by Molmil](/molmil-images/mine/6bu6) | Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor | Descriptor: | 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol), CHLORIDE ION, GLYCEROL, ... | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Santiago, A.S, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-12-08 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor To Be Published
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7LM0
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![BU of 7lm0 by Molmil](/molmil-images/mine/7lm0) | Crystal structure of GenB3 in complex with PLP | Descriptor: | C-6' aminotransferase, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE | Authors: | Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B. | Deposit date: | 2021-02-04 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin Acs Catalysis, 2021
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6BJG
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![BU of 6bjg by Molmil](/molmil-images/mine/6bjg) | CIRV p19 mutant T111H in complex with siRNA | Descriptor: | RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3'), RNA silencing suppressor p19 | Authors: | Foss, D.V, Schirle, N, Pezacki, J.P, Macrae, I.J. | Deposit date: | 2017-11-06 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural insights into interactions between viral suppressor of RNA silencing protein p19 mutants and small RNAs. Febs Open Bio, 9, 2019
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6YWG
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![BU of 6ywg by Molmil](/molmil-images/mine/6ywg) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148N variant | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-04-29 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures. Proteins, 2021
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7RS0
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![BU of 7rs0 by Molmil](/molmil-images/mine/7rs0) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-18 | Descriptor: | (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-10 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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5FSC
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![BU of 5fsc by Molmil](/molmil-images/mine/5fsc) | Structure of tectonin 2 from Laccaria bicolor in complex with allyl- alpha_4-methyl-mannoside | Descriptor: | MAGNESIUM ION, TECTONIN 2, prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside | Authors: | Sommer, R, Bleuer, S, Titz, A, Kunzler, M, Varrot, A. | Deposit date: | 2016-01-04 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense. Structure, 26, 2018
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6ZGN
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![BU of 6zgn by Molmil](/molmil-images/mine/6zgn) | Crystal structure of VirB8-like OrfG central domain of Streptococcus thermophilus ICESt3; a putative assembly factor of a gram positive conjugative Type IV secretion system. | Descriptor: | Putative transfer protein | Authors: | Cappele, J, Mohamad-Ali, A, Leblond-Bourget, N, Payot-Lacroix, S, Mathiot, S, Didierjean, C, Favier, F, Douzi, B. | Deposit date: | 2020-06-19 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biochemical Analysis of OrfG: The VirB8-like Component of the Conjugative Type IV Secretion System of ICE St3 From Streptococcus thermophilus . Front Mol Biosci, 8, 2021
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6QTQ
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5VDT
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![BU of 5vdt by Molmil](/molmil-images/mine/5vdt) | Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cGAMP | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Byrnes, L.J, Hall, J.D. | Deposit date: | 2017-04-03 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.576 Å) | Cite: | The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition. Protein Sci., 26, 2017
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