5XZO
| Crystal structure of GH10 xylanase XYL10C from Bispora. sp MEY-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase | Authors: | You, S, Chen, C, Tu, T, Guo, R.T, Luo, H, Yao, B. | Deposit date: | 2017-07-13 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of GH10 xylanase XYL10C from Bispora. sp MEY-1 To Be Published
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5XZU
| Crystal structure of GH10 xylanase from Bispora. sp MEY-1 with xylobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | You, S, Chen, C.C, Tu, T, Guo, R.T, Luo, H.Y, Yao, B. | Deposit date: | 2017-07-14 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insight into the functional roles of Glu175 in the hyperthermostable xylanase XYL10C-Delta N through structural analysis and site-saturation mutagenesis. Biotechnol Biofuels, 11, 2018
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5B6K
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8Y83
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8Y7R
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2XWT
| CRYSTAL STRUCTURE OF THE TSH RECEPTOR IN COMPLEX WITH A BLOCKING TYPE TSHR AUTOANTIBODY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 HEAVY CHAIN, ... | Authors: | Sanders, J, Sanders, P, Young, S, Kabelis, K, Baker, S, Sullivan, A, Evans, M, Clark, J, Wilmot, J, Hu, X, Roberts, E, Powell, M, Nunez Miguel, R, Furmaniak, J, Rees Smith, B. | Deposit date: | 2010-11-05 | Release date: | 2011-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Tsh Receptor (Tshr) Bound to a Blocking-Type Tshr Autoantibody. J.Mol.Endocrinol., 46, 2011
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1AG6
| PLASTOCYANIN FROM SPINACH | Descriptor: | COPPER (II) ION, PLASTOCYANIN | Authors: | Xue, Y, Okvist, M, Young, S. | Deposit date: | 1997-04-02 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of spinach plastocyanin at 1.7 A resolution. Protein Sci., 7, 1998
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4B6L
| Discovery of Oral Polo-Like Kinase (PLK) Inhibitors with Enhanced Selectivity Profile using Residue Targeted Drug Design | Descriptor: | 4-[[(4R)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-3-methoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PLK3, SULFATE ION | Authors: | Brown, K, Charrier, J.D, Durrant, S, Griffiths, M, Hudson, C, Kay, D, Knegtel, R, ODonnell, M, Pierard, F, Twin, H, Weber, P, Young, S. | Deposit date: | 2012-08-14 | Release date: | 2013-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Oral Polo-Like Kinase (Plk) Inhibitors with Enhanced Selectivity Profile Using Residue Targeted Drug Design To be Published
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3N7O
| X-ray structure of human chymase in complex with small molecule inhibitor. | Descriptor: | (S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | Authors: | Abad, M.C, Kervinen, J, Crysler, C, Bayoumy, S, Spurlino, J, Deckman, I, Greco, M.N, Maryanoff, B.E, Degaravilla, L. | Deposit date: | 2010-05-27 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potency variation of small-molecule chymase inhibitors across species. Biochem. Pharmacol., 80, 2010
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6LT9
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6LQK
| Crystal structure of honeybee RyR NTD | Descriptor: | MAGNESIUM ION, ryanodine receptor | Authors: | Zhou, Y, Lin, L, Yuchi, Z. | Deposit date: | 2020-01-13 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Crystal structure of the N-terminal domain of ryanodine receptor from the honeybee, Apis mellifera. Insect Biochem.Mol.Biol., 125, 2020
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4Z2B
| The structure of human PDE12 residues 161-609 in complex with GSK3036342A | Descriptor: | 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Nolte, R.T, Wisely, B, Wang, L, Wood, E.R. | Deposit date: | 2015-03-29 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors. J.Biol.Chem., 290, 2015
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4Z0V
| The structure of human PDE12 residues 161-609 | Descriptor: | 2',5'-phosphodiesterase 12, GLYCEROL, MAGNESIUM ION | Authors: | Nolte, R.T, Wisely, B, Wang, L, Wood, E.R. | Deposit date: | 2015-03-26 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors. J.Biol.Chem., 290, 2015
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8J17
| Crystal structure of IsPETase variant | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Yin, Q.D, Wang, Y.X. | Deposit date: | 2023-04-12 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Efficient polyethylene terephthalate biodegradation by an engineered Ideonella sakaiensis PETase with a fixed substrate-binding W156 residue Green Chem, 2013
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7ADN
| apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant | Descriptor: | FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Nguyen, D, You, S, Heine, A, Klebe, G. | Deposit date: | 2020-09-15 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A9E
| tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone | Descriptor: | 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ... | Authors: | Nguyen, D, You, S, Heine, A, Klebe, G. | Deposit date: | 2020-09-01 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7K9Z
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ... | Authors: | Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P. | Deposit date: | 2020-09-29 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers. Nat Commun, 12, 2021
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7SH4
| CD1a-phosphatidylglycerol binary structure | Descriptor: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Wegrecki, M, Rossjohn, J. | Deposit date: | 2021-10-07 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Staphylococcal phosphatidylglycerol antigens activate human T cells via CD1a. Nat.Immunol., 24, 2023
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4QXX
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6XKR
| Structure of Sasanlimab Fab in complex with PD-1 | Descriptor: | GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ... | Authors: | Kimberlin, C.R, Chin, S.M. | Deposit date: | 2020-06-27 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody. Mol.Cancer Ther., 19, 2020
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8DU3
| Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ... | Authors: | Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V. | Deposit date: | 2022-07-26 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists. Eur.J.Med.Chem., 241, 2022
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6ME9
| XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon | Descriptor: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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6ME7
| XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ... | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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6ME6
| XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ... | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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6ME8
| XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin | Descriptor: | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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