6SRU
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![BU of 6sru by Molmil](/molmil-images/mine/6sru) | Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1) | Descriptor: | Programmed cell death 1 ligand 1 | Authors: | Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A. | Deposit date: | 2019-09-06 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.532 Å) | Cite: | Human and mouse PD-L1: similar molecular structure, but different druggability profiles. Iscience, 24, 2021
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2MXU
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![BU of 2mxu by Molmil](/molmil-images/mine/2mxu) | 42-Residue Beta Amyloid Fibril | Descriptor: | Amyloid beta A4 protein | Authors: | Xiao, Y, Ma, B, McElheny, D, Parthasarathy, S, Long, F, Hoshi, M, Nussinov, R, Ishii, Y. | Deposit date: | 2015-01-14 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | A beta (1-42) fibril structure illuminates self-recognition and replication of amyloid in Alzheimer's disease. Nat.Struct.Mol.Biol., 22, 2015
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1ELB
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![BU of 1elb by Molmil](/molmil-images/mine/1elb) | Analogous inhibitors of elastase do not always bind analogously | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ELASTASE, ... | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | Deposit date: | 1993-12-07 | Release date: | 1994-06-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Analogous inhibitors of elastase do not always bind analogously. Nat.Struct.Biol., 1, 1994
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3CRN
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![BU of 3crn by Molmil](/molmil-images/mine/3crn) | Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1 | Descriptor: | GLYCEROL, Response regulator receiver domain protein, CheY-like, ... | Authors: | Hiner, R.L, Toro, R, Patskovsky, Y, Freeman, J, Chang, S, Smith, D, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-04-07 | Release date: | 2008-04-22 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1. To be Published
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3W78
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![BU of 3w78 by Molmil](/molmil-images/mine/3w78) | Crystal Structure of azoreductase AzrC in complex with NAD(P)-inhibitor Cibacron Blue | Descriptor: | CIBACRON BLUE, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | Authors: | Yu, J, Ogata, D, Ooi, T, Yao, M. | Deposit date: | 2013-02-27 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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8ADW
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![BU of 8adw by Molmil](/molmil-images/mine/8adw) | Lipidic alpha-synuclein fibril - polymorph L1C | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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6T01
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![BU of 6t01 by Molmil](/molmil-images/mine/6t01) | Crystal structure of YTHDC1 with fragment 13 (DHU_DC1_153) | Descriptor: | 6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T0A
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![BU of 6t0a by Molmil](/molmil-images/mine/6t0a) | Crystal structure of YTHDC1 with fragment 25 (PSI_DC1_005) | Descriptor: | (~{R})-azanyl(pyridin-3-yl)methanethiol, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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3CPW
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![BU of 3cpw by Molmil](/molmil-images/mine/3cpw) | The structure of the antibiotic LINEZOLID bound to the large ribosomal subunit of HALOARCULA MARISMORTUI | Descriptor: | 23S RIBOSOMAL RNA, 5'-R(*CP*CP*AP*(PHE)*(ACA))-3', 50S ribosomal protein L10E, ... | Authors: | Ippolito, J.A, Kanyo, Z.K, Wang, D, Franceschi, F.J, Moore, P.B, Steitz, T.A, Duffy, E.M. | Deposit date: | 2008-04-01 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the Oxazolidinone Antibiotic
Linezolid Bound to the 50S Ribosomal Subunit J.Med.Chem., 51, 2008
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2NAN
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![BU of 2nan by Molmil](/molmil-images/mine/2nan) | |
1F1G
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![BU of 1f1g by Molmil](/molmil-images/mine/1f1g) | Crystal structure of yeast cuznsod exposed to nitric oxide | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, PHOSPHATE ION, ... | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-12 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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8AB3
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![BU of 8ab3 by Molmil](/molmil-images/mine/8ab3) | Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in complex with oxamate, NADH and FBP. | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,6-di-O-phosphono-beta-D-fructofuranose, L-lactate dehydrogenase, ... | Authors: | Robin, A.Y, Girard, E, Madern, D. | Deposit date: | 2022-07-04 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.616 Å) | Cite: | Deciphering Evolutionary Trajectories of Lactate Dehydrogenases Provides New Insights into Allostery. Mol.Biol.Evol., 40, 2023
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3IQD
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![BU of 3iqd by Molmil](/molmil-images/mine/3iqd) | Structure of Octopine-dehydrogenase in complex with NADH and Agmatine | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, AGMATINE, Octopine dehydrogenase | Authors: | Smits, S.H.J, Meyer, T, Mueller, A, Willbold, D, Grieshaber, M.K, Schmitt, L. | Deposit date: | 2009-08-20 | Release date: | 2010-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into the mechanism of ligand binding to octopine dehydrogenase from Pecten maximus by NMR and crystallography Plos One, 5, 2010
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3WEU
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![BU of 3weu by Molmil](/molmil-images/mine/3weu) | Crystal structure of the L-Lys epsilon-oxidase from Marinomonas mediterranea | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, L-lysine 6-oxidase, ... | Authors: | Okazaki, S, Nakano, S, Matsui, D, Akaji, S, Inagaki, K, Asano, Y. | Deposit date: | 2013-07-12 | Release date: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | X-Ray crystallographic evidence for the presence of the cysteine tryptophylquinone cofactor in L-lysine {varepsilon}-oxidase from Marinomonas mediterranea J.Biochem., 154, 2013
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2N3E
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![BU of 2n3e by Molmil](/molmil-images/mine/2n3e) | Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster | Descriptor: | Major ampullate spidroin 1 | Authors: | Schaal, D, Bauer, J, Schweimer, K, Scheibel, T, Roesch, P, Schwarzinger, S. | Deposit date: | 2015-05-29 | Release date: | 2016-06-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | High resolution structure of an engineered amino-terminal ampullate spider silk with neutralized charge cluster To be Published
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3WMV
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![BU of 3wmv by Molmil](/molmil-images/mine/3wmv) | The structure of an anti-cancer lectin mytilec with ligand from the mussel Mytilus galloprovincialis | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Lectin | Authors: | Terada, D, Kawai, F, Noguchi, H, Unzai, S, Park, S.-Y, Ozeki, Y, Tame, J.R.H. | Deposit date: | 2013-11-27 | Release date: | 2014-12-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal structure of MytiLec, a galactose-binding lectin from the mussel Mytilus galloprovincialis with cytotoxicity against certain cancer cell types Sci Rep, 6, 2016
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4L40
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![BU of 4l40 by Molmil](/molmil-images/mine/4l40) | Structure of the P450 OleT with a C20 fatty acid substrate bound | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Terminal olefin-forming fatty acid decarboxylase, icosanoic acid | Authors: | Leys, D. | Deposit date: | 2013-06-07 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Biochemical Properties of the Alkene Producing Cytochrome P450 OleTJE (CYP152L1) from the Jeotgalicoccus sp. 8456 Bacterium. J.Biol.Chem., 289, 2014
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6SL5
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![BU of 6sl5 by Molmil](/molmil-images/mine/6sl5) | Dunaliella Photosystem I Supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Nelson, N, Caspy, I, Malavath, T, Klaiman, D, Shkolinsky, Y. | Deposit date: | 2019-08-18 | Release date: | 2020-06-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex. Biochim Biophys Acta Bioenerg, 1861, 2020
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3DJW
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![BU of 3djw by Molmil](/molmil-images/mine/3djw) | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1 | Descriptor: | ORF99 | Authors: | Goulet, A, Spinelli, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V. | Deposit date: | 2008-06-24 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1 Protein Sci., 18, 2009
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1DXR
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![BU of 1dxr by Molmil](/molmil-images/mine/1dxr) | Photosynthetic reaction center from Rhodopseudomonas viridis - His L168 Phe mutant (terbutryn complex) | Descriptor: | 15-cis-1,2-dihydroneurosporene, 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE, BACTERIOCHLOROPHYLL B, ... | Authors: | Lancaster, C.R.D, Bibikova, M, Sabatino, P, Oesterhelt, D, Michel, H. | Deposit date: | 2000-01-15 | Release date: | 2001-01-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the drastically increased initial electron transfer rate in the reaction center from a Rhodopseudomonas viridis mutant described at 2.00-A resolution. J. Biol. Chem., 275, 2000
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6SXF
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![BU of 6sxf by Molmil](/molmil-images/mine/6sxf) | Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Tamoxifen (2.8 Angstrom resolution) | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Sula, A, Hollingworth, D, Wallace, B.A. | Deposit date: | 2019-09-25 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.839 Å) | Cite: | A tamoxifen receptor within a voltage-gated sodium channel. Mol.Cell, 81, 2021
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3WR9
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![BU of 3wr9 by Molmil](/molmil-images/mine/3wr9) | Crystal structure of the Anaerobic DesB-Gallate complex | Descriptor: | 3,4,5-trihydroxybenzoic acid, FE (II) ION, Gallate dioxygenase | Authors: | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | Deposit date: | 2014-02-21 | Release date: | 2014-04-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6 Plos One, 9, 2014
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6SZP
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![BU of 6szp by Molmil](/molmil-images/mine/6szp) | High resolution crystal structure of human DDAH-1 in complex with N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine | Descriptor: | (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine, GLYCEROL, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Hennig, S, Vetter, I.R, Schade, D. | Deposit date: | 2019-10-02 | Release date: | 2019-12-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1). J.Med.Chem., 63, 2020
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2MTV
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![BU of 2mtv by Molmil](/molmil-images/mine/2mtv) | Solution Structure of the YTH Domain of YT521-B in complex with N6-Methyladenosine containing RNA | Descriptor: | RNA_(5'-R(*UP*GP*(6MZ)P*CP*AP*C)-3'), YTH domain-containing protein 1 | Authors: | Theler, D, Dominguez, C, Blatter, M, Boudet, J, Allain, F.H.-T. | Deposit date: | 2014-09-01 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the YTH domain in complex with N6-methyladenosine RNA: a reader of methylated RNA. Nucleic Acids Res., 42, 2014
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3ILE
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![BU of 3ile by Molmil](/molmil-images/mine/3ile) | Crystal structure of ORF157-E86A of Acidianus filamentous virus 1 | Descriptor: | NICKEL (II) ION, Putative uncharacterized protein | Authors: | Goulet, A, Lichiere, J, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V. | Deposit date: | 2009-08-07 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease J.Virol., 84, 2010
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