2ZSB
 
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP, obtained through soaking of native enzyme crystals with the ligand | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Pantothenate kinase | | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2008-09-04 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
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9B7F
 | | S_SAD structure of HEWL using lossless default compression | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K. | | Deposit date: | 2024-03-27 | | Release date: | 2024-04-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments.
J.Synchrotron Radiat., 31, 2024
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9B7E
 | | S_SAD structure of HEWL using lossy compression data with a compression ratio of 422 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K. | | Deposit date: | 2024-03-27 | | Release date: | 2024-04-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments.
J.Synchrotron Radiat., 31, 2024
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3TK3
 | | Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. | | Deposit date: | 2011-08-25 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8001 Å) | | Cite: | Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
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3DHV
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1RKH
 | | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2AM20R and a synthetic peptide containing the NR2 box of DRIP 205 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYL-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | | Authors: | Vanhooke, J.L, Benning, M.M, Bauer, C.B, Pike, J.W, F DeLuca, H. | | Deposit date: | 2003-11-21 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide
Biochemistry, 43, 2004
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1HG4
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6UM9
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2PYY
 | | Crystal Structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with (L)-glutamate | | Descriptor: | GLUTAMIC ACID, Ionotropic glutamate receptor bacterial homologue | | Authors: | Lee, J.H, Kang, G.B, Lim, H.-H, Ree, M, Park, C.-S, Eom, S.H. | | Deposit date: | 2007-05-17 | | Release date: | 2008-01-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with L-glutamate: structural dissection of the ligand interaction and subunit interface.
J.Mol.Biol., 376, 2008
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3L9R
 | | Crystal structure of bovine CD1b3 with endogenously bound ligands | | Descriptor: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M, Girardi, E. | | Deposit date: | 2010-01-05 | | Release date: | 2010-06-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of bovine CD1b3 with endogenously bound ligands.
J.Immunol., 185, 2010
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3QNY
 | | Monoclinic form of human IgA1 Fab fragment, sharing same Fv as IgG | | Descriptor: | FAB FRAGMENT OF IMMUNOGLOBULIN A1 HEAVY CHAIN, FAB FRAGMENT OF IMMUNOGLOBULIN A1 LIGHT CHAIN, GLYCEROL | | Authors: | Trajtenberg, F, Correa, A, Buschiazzo, A. | | Deposit date: | 2011-02-09 | | Release date: | 2012-02-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
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4ZZC
 | | The GLIC pentameric Ligand-Gated Ion Channel open form complexed to xenon | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Fourati, Z, Prange, T, Delarue, M, Colloc'h, N. | | Deposit date: | 2015-05-22 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel.
Plos One, 11, 2016
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2QJO
 | | crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase (NadM) complexed with ADPRP and NAD from Synechocystis sp. | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Bifunctional NMN adenylyltransferase/Nudix hydrolase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H. | | Deposit date: | 2007-07-08 | | Release date: | 2008-03-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
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4NWD
 | | Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid at 2.6 A resolution | | Descriptor: | (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | | Authors: | Venskutonyte, R, Larsen, A.P, Frydenvang, K, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-12-06 | | Release date: | 2014-08-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain.
Chemmedchem, 9, 2014
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4ZZB
 | | The GLIC pentameric Ligand-Gated Ion Channel Locally-closed form complexed to xenon | | Descriptor: | ACETATE ION, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Sauguet, L, Fourati, Z, Prange, T, Delarue, M, Colloc'h, N. | | Deposit date: | 2015-05-22 | | Release date: | 2016-03-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel.
Plos One, 11, 2016
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2WQX
 | | InlB321_4R: S199R, D200R, G206R, A227R, C242A mutant of the Listeria monocytogenes InlB internalin domain | | Descriptor: | INTERNALIN B | | Authors: | Niemann, H.H, Ferraris, D.M, Heinz, D.W. | | Deposit date: | 2009-08-27 | | Release date: | 2009-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Ligand-Mediated Dimerization of the met Receptor Tyrosine Kinase by the Bacterial Invasion Protein Inlb.
J.Mol.Biol., 395, 2010
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5IKB
 | | Crystal structure of the kainate receptor GluK4 ligand binding domain in complex with kainate | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, GLYCEROL, Glutamate receptor ionotropic, ... | | Authors: | Kristensen, O, Kristensen, L.B, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2016-03-03 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Structure of a High-Affinity Kainate Receptor: GluK4 Ligand-Binding Domain Crystallized with Kainate.
Structure, 24, 2016
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5ULT
 | | HIV-1 wild Type protease with GRL-100-13A (a Crown-like Oxotricyclic Core as the P2-Ligand with the sulfonamide isostere as the P2' group) | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2017-01-25 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants.
J. Med. Chem., 60, 2017
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1NUN
 | | Crystal Structure Analysis of the FGF10-FGFR2b Complex | | Descriptor: | Fibroblast growth factor-10, POLYETHYLENE GLYCOL (N=34), SULFATE ION, ... | | Authors: | Yeh, B.K, Igarashi, M, Eliseenkova, A.V, Plotnikov, A.N, Sher, I, Ron, D, Aaronson, S.A, Mohammadi, M. | | Deposit date: | 2003-01-31 | | Release date: | 2003-02-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis by which alternative splicing confers
specificity in fibroblast growth factor receptors.
Proc.Natl.Acad.Sci.USA, 100, 2003
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6W9M
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1RKG
 | | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MbisP and a synthetic peptide containing the NR2 box of DRIP 205 | | Descriptor: | 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | | Authors: | Vanhooke, J.L, Benning, M.M, Bauer, C.B, Pike, J.W, DeLuca, H.F. | | Deposit date: | 2003-11-21 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide
Biochemistry, 43, 2004
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8J1A
 | | Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled | | Descriptor: | Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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2AKY
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1AOF
 | | CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED FORM | | Descriptor: | HEME D, NITRITE REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Williams, P.A, Fulop, V. | | Deposit date: | 1997-07-02 | | Release date: | 1997-10-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme.
Nature, 389, 1997
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1AOQ
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