1LHN
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![BU of 1lhn by Molmil](/molmil-images/mine/1lhn) | CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17ALPHA-DIOL | Descriptor: | 5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL, CALCIUM ION, SEX HORMONE-BINDING GLOBULIN, ... | Authors: | Grishkovskaya, I, Avvakumov, G.V, Hammond, G.L, Catalano, M.G, Muller, Y.A. | Deposit date: | 2002-04-17 | Release date: | 2002-10-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Steroid Ligands Bind Human Sex Hormone-binding Globulin in Specific Orientations and Produce Distinct Changes in Protein Conformation J.Biol.Chem., 277, 2002
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1SSB
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![BU of 1ssb by Molmil](/molmil-images/mine/1ssb) | A STRUCTURAL INVESTIGATION OF CATALYTICALLY MODIFIED F12OL AND F12OY SEMISYNTHETIC RIBONUCLEASES | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Demel, V.S.J, Doscher, M.S, Glinn, M.A, Martin, P.D, Ram, M.L, Edwards, B.F.P. | Deposit date: | 1993-08-03 | Release date: | 1994-09-30 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural investigation of catalytically modified F120L and F120Y semisynthetic ribonucleases. Protein Sci., 3, 1994
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4GAO
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![BU of 4gao by Molmil](/molmil-images/mine/4gao) | DCNL complex with N-terminally acetylated NEDD8 E2 peptide | Descriptor: | BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12 | Authors: | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | Deposit date: | 2012-07-25 | Release date: | 2012-11-28 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes. Structure, 21, 2013
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8IZB
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![BU of 8izb by Molmil](/molmil-images/mine/8izb) | Lysophosphatidylserine receptor GPR174-Gs complex | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Gong, W, Liu, G, Li, X, Zhang, X. | Deposit date: | 2023-04-06 | Release date: | 2023-11-01 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural basis for ligand recognition and signaling of the lysophosphatidylserine receptors GPR34 and GPR174. Plos Biol., 21, 2023
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2WGT
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![BU of 2wgt by Molmil](/molmil-images/mine/2wgt) | Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N-propaonyl-3,5-dideoxy-D- glycero-a-D-galacto-2-nonulopyranosylonic acid | Descriptor: | 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION | Authors: | Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. | Deposit date: | 2009-04-27 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis. J.Med.Chem., 52, 2009
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1BID
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1LSX
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![BU of 1lsx by Molmil](/molmil-images/mine/1lsx) | Crystal structure of the methylimidazole-bound BjFixL heme domain | Descriptor: | 1-METHYLIMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | Authors: | Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K. | Deposit date: | 2002-05-20 | Release date: | 2002-11-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based mechanism of O2 sensing and ligand discrimination by
the FixL heme domain of Bradyrhizobium japonicum Biochemistry, 41, 2002
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2VUC
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![BU of 2vuc by Molmil](/molmil-images/mine/2vuc) | PA-IIL lectin from Pseudomonas aeruginosa complexed with Fucose- derived glycomimetics | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | Authors: | Beha, S, Marotte, K, Sabin, C, Mitchell, E.P, Imberty, A, Roy, R. | Deposit date: | 2008-05-22 | Release date: | 2009-07-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Fucose-Derived Glycomimetics as High Affinity Ligands for Bacterial Lectin Pa-Iil from Pseudomonas Aeruginosa To be Published
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2VY6
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![BU of 2vy6 by Molmil](/molmil-images/mine/2vy6) | Two domains from the C-terminal region of influenza A virus polymerase PB2 subunit | Descriptor: | POLYMERASE BASIC PROTEIN 2 | Authors: | Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D. | Deposit date: | 2008-07-18 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit Plos Pathog., 4, 2008
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6PU9
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![BU of 6pu9 by Molmil](/molmil-images/mine/6pu9) | Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-17 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species. Protein Sci., 29, 2020
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1AOB
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![BU of 1aob by Molmil](/molmil-images/mine/1aob) | E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DDURD | Descriptor: | 2'-5'DIDEOXYURIDINE, FORMIC ACID, PHOSPHATE ION, ... | Authors: | Stout, T.J, Sage, C.R, Stroud, R.M. | Deposit date: | 1997-06-30 | Release date: | 1998-07-01 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The additivity of substrate fragments in enzyme-ligand binding. Structure, 6, 1998
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1BDU
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6IXJ
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![BU of 6ixj by Molmil](/molmil-images/mine/6ixj) | The crystal structure of sulfoacetaldehyde reductase from Klebsiella oxytoca | Descriptor: | 2-hydroxyethylsulfonic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sulfoacetaldehyde reductase | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | Deposit date: | 2018-12-10 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Biochemical and structural investigation of sulfoacetaldehyde reductase fromKlebsiella oxytoca. Biochem. J., 476, 2019
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7XNA
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![BU of 7xna by Molmil](/molmil-images/mine/7xna) | Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806 | Descriptor: | CYN 154806, Somatostatin receptor type 2,Endo-1,4-beta-xylanase | Authors: | Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q. | Deposit date: | 2022-04-28 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors. Cell Res., 32, 2022
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7XN9
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![BU of 7xn9 by Molmil](/molmil-images/mine/7xn9) | Crystal structure of SSTR2 and L-054,522 complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Somatostatin receptor type 2,Endo-1,4-beta-xylanase, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate | Authors: | Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q. | Deposit date: | 2022-04-28 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors. Cell Res., 32, 2022
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2LGY
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![BU of 2lgy by Molmil](/molmil-images/mine/2lgy) | Ubiquitin-like domain from HOIL-1 | Descriptor: | RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Beasley, S.A, Shaw, G.S. | Deposit date: | 2011-08-03 | Release date: | 2012-06-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the E3 ligase HOIL-1 Ubl domain. Protein Sci., 21, 2012
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2WAC
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6A06
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![BU of 6a06 by Molmil](/molmil-images/mine/6a06) | Structure of pSTING complex | Descriptor: | SULFATE ION, Stimulator of interferon genes protein, cGAMP | Authors: | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | Deposit date: | 2018-06-05 | Release date: | 2019-06-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins. J.Biol.Chem., 294, 2019
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4J9A
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![BU of 4j9a by Molmil](/molmil-images/mine/4j9a) | Engineered Digoxigenin binder DIG10.3 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-15 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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6A04
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![BU of 6a04 by Molmil](/molmil-images/mine/6a04) | Structure of pSTING complex | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Stimulator of interferon genes protein | Authors: | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | Deposit date: | 2018-06-05 | Release date: | 2019-06-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins. J.Biol.Chem., 294, 2019
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6H4Q
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![BU of 6h4q by Molmil](/molmil-images/mine/6h4q) | Crystal structure of human KDM4A in complex with compound 34a | Descriptor: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4W
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![BU of 6h4w by Molmil](/molmil-images/mine/6h4w) | Crystal structure of human KDM4A in complex with compound 19d | Descriptor: | 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H12
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![BU of 6h12 by Molmil](/molmil-images/mine/6h12) | Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Coquelle, N, Colletier, J.P. | Deposit date: | 2018-07-10 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3. Eur.J.Med.Chem., 168, 2019
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5LOJ
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6H4S
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![BU of 6h4s by Molmil](/molmil-images/mine/6h4s) | Crystal structure of human KDM4A in complex with compound 16m | Descriptor: | 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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