5QD4
| Crystal structure of BACE complex with BMC023 | Descriptor: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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4DC0
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4DBZ
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2I4X
| HIV-1 Protease I84V, L90M with GS-8374 | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | Authors: | Hatada, M. | Deposit date: | 2006-08-22 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring. J.Mol.Biol., 363, 2006
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3U31
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2ABK
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1OKK
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3V00
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3VZE
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3U3D
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3TIX
| Crystal structure of the Chp1-Tas3 complex core | Descriptor: | CHLORIDE ION, Chromo domain-containing protein 1, POTASSIUM ION, ... | Authors: | Schalch, T, Joshua-Tor, L. | Deposit date: | 2011-08-22 | Release date: | 2011-11-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9001 Å) | Cite: | The Chp1-Tas3 core is a multifunctional platform critical for gene silencing by RITS. Nat.Struct.Mol.Biol., 18, 2011
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3VY6
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3VZF
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3VZG
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3WOG
| Crystal structure plant lectin in complex with ligand | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, ... | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2013-12-26 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold Glycobiology, 24, 2014
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3VY7
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3WCR
| Crystal structure of plant lectin (ligand-free form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Erythroagglutinin | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2013-05-31 | Release date: | 2014-04-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold Glycobiology, 24, 2014
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3WCS
| Crystal structure of plant lectin (ligand-bound form) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, ... | Authors: | Nagae, M, Yamaguchi, Y. | Deposit date: | 2013-05-31 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold Glycobiology, 24, 2014
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2HZC
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