4POV
| ThiT with LMG135 bound | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde, CHLORIDE ION, ... | Authors: | Swier, L.J.Y.M, Guskov, A, Slotboom, D.J. | Deposit date: | 2014-02-26 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Design of Potent Small-Molecule Binders to the S-Component of the ECF Transporter for Thiamine. Chembiochem, 16, 2015
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3W13
| Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alphact peptide(693-719) and FAB 83-7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Lawrence, M.C, Smith, B.J, Brzozowski, A.M. | Deposit date: | 2012-11-06 | Release date: | 2013-01-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.303 Å) | Cite: | How insulin engages its primary binding site on the insulin receptor Nature, 493, 2013
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6JK8
| Cryo-EM structure of the full-length human IGF-1R in complex with insulin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ... | Authors: | Zhang, X, Yu, D, Wang, T. | Deposit date: | 2019-02-27 | Release date: | 2020-03-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis. Structure, 28, 2020
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5U3A
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6TP6
| Crystal structure of the Orexin-1 receptor in complex with filorexant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CHLORIDE ION, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-12 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TQ4
| Crystal structure of the Orexin-1 receptor in complex with Compound 16 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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7XF7
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7FCW
| X-ray structure of H2O-solvent lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | Deposit date: | 2021-07-15 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7FCU
| X-ray structure of D2O-solvent lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | Deposit date: | 2021-07-15 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7XF8
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4XSN
| Copper(II) bound to the Z-DNA form of d(CGCGCG) | Descriptor: | COPPER (II) ION, DNA (5'-D(*CP*(BGM)P*CP*GP*CP*GP)-3') | Authors: | Rohner, M, Medina-Molner, A, Spingler, B. | Deposit date: | 2015-01-22 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.452 Å) | Cite: | N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2. Inorg.Chem., 55, 2016
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2UVH
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3ITO
| Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant D327N in complex with D-psicose | Descriptor: | L-rhamnose isomerase, MANGANESE (II) ION, alpha-D-psicofuranose | Authors: | Yoshida, H, Yamaji, M, Ishii, T, Izumori, K, Kamitori, S. | Deposit date: | 2009-08-28 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures Febs J., 277, 2010
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6TSI
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4Q9J
| P-glycoprotein cocrystallised with QZ-Val | Descriptor: | Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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3W12
| Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alpha-CT peptide(704-719) and FAB 83-7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Lawrence, M.C, Smith, B.J, Brzozowsk, A.M. | Deposit date: | 2012-11-06 | Release date: | 2013-01-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.301 Å) | Cite: | How insulin engages its primary binding site on the insulin receptor Nature, 493, 2013
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6TQ7
| Crystal structure of the Orexin-1 receptor in complex with SB-334867 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6636 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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1FI1
| FhuA in complex with lipopolysaccharide and rifamycin CGP4832 | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | Authors: | Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W. | Deposit date: | 2000-08-03 | Release date: | 2001-08-29 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA. Structure, 9, 2001
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8J7O
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4Q1N
| Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors | Descriptor: | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. | Deposit date: | 2014-04-04 | Release date: | 2014-08-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, 5, 2014
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7CFS
| Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L. | Deposit date: | 2020-06-28 | Release date: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1. Elife, 9, 2020
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7CJF
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | Deposit date: | 2020-07-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes. Nat Commun, 12, 2021
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1QFG
| E. COLI FERRIC HYDROXAMATE RECEPTOR (FHUA) | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | Authors: | Ferguson, A.D, Welte, W, Hofmann, E, Lindner, B, Holst, O, Coulton, J.W, Diederichs, K. | Deposit date: | 1999-04-10 | Release date: | 2000-07-26 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins. Structure Fold.Des., 8, 2000
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2WJP
| CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR | Descriptor: | AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D. | Deposit date: | 2009-05-28 | Release date: | 2010-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase. J.Med.Chem., 53, 2010
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8QBF
| Compact state - Pil1 dimer with lipid headgroups fitted in native eisosome lattice bound to plasma membrane microdomain | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, PHOSPHOSERINE, Sphingolipid long chain base-responsive protein PIL1 | Authors: | Kefauver, J.M, Zou, L, Desfosses, A, Loewith, R.J. | Deposit date: | 2023-08-24 | Release date: | 2024-07-24 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Cryo-EM architecture of a near-native stretch-sensitive membrane microdomain. Nature, 632, 2024
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