8HOG
| Crystal structure of Bcl-2 in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8HOH
| Crystal structure of Bcl-2 G101V in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8HTR
| Crystal structure of Bcl2 in complex with S-9c | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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8HTS
| Crystal structure of Bcl2 in complex with S-10r | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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4U1Q
| Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with 3HK and SAH | Descriptor: | (2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid, S-ADENOSYL-L-HOMOCYSTEINE, SibL | Authors: | liu, J.S, Chen, S.C, Yang, C.S, Huang, C.H, Chen, Y. | Deposit date: | 2014-07-16 | Release date: | 2015-08-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.085 Å) | Cite: | Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with 3HK and SAH To Be Published
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1SUM
| Crystal structure of a hypothetical protein at 2.0 A resolution | Descriptor: | CALCIUM ION, FE (III) ION, NICKEL (II) ION, ... | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-03-26 | Release date: | 2004-08-24 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a PhoU protein homologue: a new class of metalloprotein containing multinuclear iron clusters. J.Biol.Chem., 280, 2005
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8W4S
| Crystal structure of PDE5A in complex with CVT-313 | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4T
| Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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426D
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1Z0Z
| Crystal structure of a NAD kinase from Archaeoglobus fulgidus in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Probable inorganic polyphosphate/ATP-NAD kinase | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2005-03-02 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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3N27
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1SUW
| Crystal structure of a NAD kinase from Archaeoglobus fulgidus in complex with its substrate and product: Insights into the catalysis of NAD kinase | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable inorganic polyphosphate/ATP-NAD kinase | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-03-26 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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7LKY
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1Z0S
| Crystal structure of an NAD kinase from Archaeoglobus fulgidus in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2005-03-02 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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3EQP
| Crystal Structure of Ack1 with compound T95 | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | Deposit date: | 2008-10-01 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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1SU0
| Crystal structure of a hypothetical protein at 2.3 A resolution | Descriptor: | NifU like protein IscU, ZINC ION | Authors: | Liu, J, Oganesyan, N, Shin, D.-H, Jancarik, J, Pufan, R, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-03-25 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural characterization of an iron-sulfur cluster assembly protein IscU in a zinc-bound form. Proteins, 59, 2005
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4GKG
| Crystal structure of the S-Helix Linker | Descriptor: | C4-dicarboxylate transport sensor protein dctB, PHOSPHATE ION | Authors: | Liu, J.W, Lu, D, Sun, Y.J, Wen, J, Yang, Y, Yang, J.G, Wei, X.L, Zhang, X.D, Wang, Y.P. | Deposit date: | 2012-08-11 | Release date: | 2013-08-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | Crystal structure of the S-Helix Linker To be Published
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6NY3
| CasX ternary complex with 30bp target DNA | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | Deposit date: | 2019-02-10 | Release date: | 2019-02-27 | Last modified: | 2019-12-25 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors. Nature, 566, 2019
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6NY2
| CasX-gRNA-DNA(45bp) state I | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | Deposit date: | 2019-02-10 | Release date: | 2019-02-27 | Last modified: | 2019-12-25 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors. Nature, 566, 2019
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4ZV8
| Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-05-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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3EQR
| Crystal Structure of Ack1 with compound T74 | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | Deposit date: | 2008-10-01 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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6NY1
| CasX-gRNA-DNA(30bp) State II | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | Deposit date: | 2019-02-10 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors. Nature, 566, 2019
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1Z0U
| Crystal structure of a NAD kinase from Archaeoglobus fulgidus bound by NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable inorganic polyphosphate/ATP-NAD kinase, SULFATE ION | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2005-03-02 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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1V1Q
| Crystal structure of PriB- a primosomal DNA replication protein of Escherichia coli | Descriptor: | CYSTEINE, PRIMOSOMAL REPLICATION PROTEIN N | Authors: | Liu, J.-H, Chang, T.-W, Huang, C.-Y, Chang, M.-C, Chen, S.-U, Wu, H.-N, Hsiao, C.-D. | Deposit date: | 2004-04-22 | Release date: | 2004-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Prib- a Primosomal DNA Replication Protein of Escherichia Coli J.Biol.Chem., 279, 2004
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5F1I
| MHC with 9-mer peptide | Descriptor: | 9-mer peptide, Beta2M, MHC class I DLA-88 | Authors: | Liu, J, Chai, Y, QI, J, Gao, G.F. | Deposit date: | 2015-11-30 | Release date: | 2016-11-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.904 Å) | Cite: | Diversified Anchoring Features the Peptide Presentation of DLA-88*50801: First Structural Insight into Domestic Dog MHC Class I J Immunol., 197, 2016
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