6PVI
 
 | | Crystal structure of PhqK in complex with paraherquamide L | | Descriptor: | (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6PVJ
 | | Crystal structure of PhqK in complex with malbrancheamide C | | Descriptor: | (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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3L5D
 | | Structure of BACE Bound to SCH723873 | | Descriptor: | 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L5C
 | | Structure of BACE Bound to SCH723871 | | Descriptor: | 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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4WWR
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3L5F
 | | Structure of BACE Bound to SCH736201 | | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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5GW0
 | | Crystal structure of SNX16 PX-Coiled coil | | Descriptor: | Sorting nexin-16 | | Authors: | Xu, J, Liu, J. | | Deposit date: | 2016-09-08 | | Release date: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | SNX16 Regulates the Recycling of E-Cadherin through a Unique Mechanism of Coordinated Membrane and Cargo Binding.
Structure, 25, 2017
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5GW1
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7EU9
 | | Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage | | Descriptor: | CITRIC ACID, Cas12i1 D647A mutant, DNA (24-MER), ... | | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | | Deposit date: | 2021-05-16 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
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3FSH
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7KID
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72 | | Descriptor: | (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7KIB
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Palte, R.L, Hayes, R.P. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7KIC
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34 | | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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3L59
 | | Structure of BACE Bound to SCH710413 | | Descriptor: | (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L58
 | | Structure of BACE Bound to SCH589432 | | Descriptor: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L5B
 | | Structure of BACE Bound to SCH713601 | | Descriptor: | (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L5E
 | | Structure of BACE Bound to SCH736062 | | Descriptor: | (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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4ON3
 | | Crystal structure of human sorting nexin 10 (SNX10) | | Descriptor: | NITRATE ION, PENTAETHYLENE GLYCOL, SODIUM ION, ... | | Authors: | Xu, T, Xu, J, Wang, Q, Liu, J. | | Deposit date: | 2014-01-28 | | Release date: | 2014-09-24 | | Last modified: | 2014-12-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
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8I16
 | | Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant | | Descriptor: | Cas12g, ZINC ION | | Authors: | Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y. | | Deposit date: | 2023-01-12 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
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8IN3
 | | Eisenia hydrolysis-enhancing protein from Aplysia kurodai | | Descriptor: | 25 kDa polyphenol-binding protein, GLYCEROL | | Authors: | Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M. | | Deposit date: | 2023-03-08 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
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8IN4
 | | Eisenia hydrolysis-enhancing protein from Aplysia kurodai | | Descriptor: | 25 kDa polyphenol-binding protein, ACETYL GROUP, GLYCEROL | | Authors: | Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M. | | Deposit date: | 2023-03-08 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
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8IN6
 | | Eisenia hydrolysis-enhancing protein from Aplysia kurodai complex with tannic acid | | Descriptor: | 25 kDa polyphenol-binding protein, BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE | | Authors: | Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M. | | Deposit date: | 2023-03-08 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
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8IN1
 | | beta-glucosidase protein from Aplysia kurodai | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-Glucosidase, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sun, X.M, Ye, Y.X, Kato, K, Yu, J, Yao, M. | | Deposit date: | 2023-03-08 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of EHEP-mediated offense against phlorotannin-induced defense from brown algae to protect aku BGL activity.
Elife, 12, 2023
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8IJK
 | | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2023-02-27 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024
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2LKP
 | | solution structure of apo-NmtR | | Descriptor: | HTH-type transcriptional regulator NmtR | | Authors: | Lee, C, Giedroc, D. | | Deposit date: | 2011-10-18 | | Release date: | 2012-04-18 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Mycobacterium tuberculosis NmtR in the Apo State: Insights into Ni(II)-Mediated Allostery.
Biochemistry, 51, 2012
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