6ME3
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![BU of 6me3 by Molmil](/molmil-images/mine/6me3) | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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1DQG
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![BU of 1dqg by Molmil](/molmil-images/mine/1dqg) | CRYSTAL STRUCTURE OF THE CYSTEINE RICH DOMAIN OF MANNOSE RECEPTOR | Descriptor: | MANNOSE RECEPTOR, SULFATE ION | Authors: | Liu, Y, Chirino, A.J, Misulovin, Z, Leteux, C, Feizi, T, Nussenzweig, M.C, Bjorkman, P.J. | Deposit date: | 2000-01-04 | Release date: | 2000-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the cysteine-rich domain of mannose receptor complexed with a sulfated carbohydrate ligand. J.Exp.Med., 191, 2000
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5K1Q
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5K1M
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5K1W
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![BU of 5k1w by Molmil](/molmil-images/mine/5k1w) | Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with trinitrophenol | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, Octadecane, ... | Authors: | Elegheert, J, Brige, A, Savvides, S.N. | Deposit date: | 2016-05-18 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands. FEBS Lett., 591, 2017
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5K1K
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![BU of 5k1k by Molmil](/molmil-images/mine/5k1k) | Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with p-hydroxybenzaldehyde | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, Octadecane, ... | Authors: | Elegheert, J, Brige, A, Savvides, S.-N. | Deposit date: | 2016-05-18 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands. FEBS Lett., 591, 2017
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5O2F
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![BU of 5o2f by Molmil](/molmil-images/mine/5o2f) | Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2017-05-20 | Release date: | 2018-12-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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6VIH
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![BU of 6vih by Molmil](/molmil-images/mine/6vih) | The ligand-free structure of mouse RABL3 | Descriptor: | Rab-like protein 3 | Authors: | Su, L, Tomchick, D.R, Beutler, B. | Deposit date: | 2020-01-13 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.993 Å) | Cite: | Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function. Proc.Natl.Acad.Sci.USA, 117, 2020
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6FPJ
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![BU of 6fpj by Molmil](/molmil-images/mine/6fpj) | Structure of the AMPAR GluA3 N-terminal domain bound to phosphate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Herguedas, B, Garcia-Nafria, J, Greger, I. | Deposit date: | 2018-02-09 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Druggability Simulations and X-Ray Crystallography Reveal a Ligand-Binding Site in the GluA3 AMPA Receptor N-Terminal Domain. Structure, 27, 2019
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5AMK
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![BU of 5amk by Molmil](/molmil-images/mine/5amk) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in multiple conformations, hexagonal crystal form | Descriptor: | CEREBLON ISOFORM 4, DIMETHYL SULFOXIDE, S-Thalidomide, ... | Authors: | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | Deposit date: | 2015-03-10 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Dynamics of the Cereblon Ligand Binding Domain. Plos One, 10, 2015
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5G6U
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![BU of 5g6u by Molmil](/molmil-images/mine/5g6u) | Crystal structure of langerin carbohydrate recognition domain with GlcNS6S | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Porkolab, V, Chabrol, E, Varga, N, Ordanini, S, Sutkeviciute, I, Thepaut, M, Bernardi, A, Fieschi, F. | Deposit date: | 2016-07-21 | Release date: | 2018-02-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Rational-Differential Design of Highly Specific Glycomimetic Ligands: Targeting DC-SIGN and Excluding Langerin Recognition. ACS Chem. Biol., 13, 2018
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1GHQ
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![BU of 1ghq by Molmil](/molmil-images/mine/1ghq) | CR2-C3D COMPLEX STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, COMPLEMENT C3, CR2/CD121/C3D/EPSTEIN-BARR VIRUS RECEPTOR, ... | Authors: | Szakonyi, G, Guthridge, J.M, Li, D, Holers, V.M, Chen, X.S. | Deposit date: | 2001-01-11 | Release date: | 2001-06-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of complement receptor 2 in complex with its C3d ligand. Science, 292, 2001
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5K1U
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5K0R
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![BU of 5k0r by Molmil](/molmil-images/mine/5k0r) | Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4) | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H:flavin oxidoreductase Sye4, Octadecane | Authors: | Elegheert, J, Brige, A, Savvides, S.N. | Deposit date: | 2016-05-17 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands. FEBS Lett., 591, 2017
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2O5M
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![BU of 2o5m by Molmil](/molmil-images/mine/2o5m) | Manganese horse heart myoglobin, azide modified | Descriptor: | AZIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING MN, ... | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-06 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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1DQO
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![BU of 1dqo by Molmil](/molmil-images/mine/1dqo) | Crystal structure of the cysteine rich domain of mannose receptor complexed with Acetylgalactosamine-4-sulfate | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, MANNOSE RECEPTOR | Authors: | Liu, Y, Chirino, A.J, Misulovin, Z, Leteux, C, Feizi, T, Nussenzweig, M.C, Bjorkman, P.J. | Deposit date: | 2000-01-04 | Release date: | 2000-05-10 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the cysteine-rich domain of mannose receptor complexed with a sulfated carbohydrate ligand. J.Exp.Med., 191, 2000
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5N2F
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![BU of 5n2f by Molmil](/molmil-images/mine/5n2f) | Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1 | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
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3VHB
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![BU of 3vhb by Molmil](/molmil-images/mine/3vhb) | IMIDAZOLE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP. | Descriptor: | IMIDAZOLE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P. | Deposit date: | 1999-03-17 | Release date: | 1999-08-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study. J.Mol.Biol., 291, 1999
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7BDN
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![BU of 7bdn by Molmil](/molmil-images/mine/7bdn) | Structure of the Streptomyces coelicolor small laccase - cubic crystal form | Descriptor: | COPPER (II) ION, Putative copper oxidase | Authors: | Zovo, K, Majumdar, S, Lukk, T. | Deposit date: | 2020-12-22 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2). Acs Omega, 7, 2022
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1DDU
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![BU of 1ddu by Molmil](/molmil-images/mine/1ddu) | E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2',5'-DIDEOXYURIDINE (DDURD) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-5'DIDEOXYURIDINE, PHOSPHATE ION, ... | Authors: | Stout, T.J, Sage, C.R, Stroud, R.M. | Deposit date: | 1997-06-26 | Release date: | 1998-07-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The additivity of substrate fragments in enzyme-ligand binding. Structure, 6, 1998
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2GN1
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2GL8
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![BU of 2gl8 by Molmil](/molmil-images/mine/2gl8) | Human Retinoic acid receptor RXR-gamma ligand-binding domain | Descriptor: | Retinoic acid receptor RXR-gamma | Authors: | Min, J.R, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-04-04 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of Human Retinoic acid receptor RXR-gamma ligand-binding domain. To be Published
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1EGY
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1NPJ
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![BU of 1npj by Molmil](/molmil-images/mine/1npj) | Crystal structure of H145A mutant of nitrite reductase from Alcaligenes faecalis | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Wijma, H.J, Boulanger, M.J, Molon, A, Fittipaldi, M, Huber, M, Murphy, M.E, Verbeet, M.P, Canters, G.W. | Deposit date: | 2003-01-18 | Release date: | 2003-04-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reconstitution of the type-1 active site of the H145G/A variants of nitrite reductase by ligand insertion Biochemistry, 42, 2003
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2GN0
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![BU of 2gn0 by Molmil](/molmil-images/mine/2gn0) | |