8JAA
 
 | | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04 | | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY | | Authors: | Zhang, B, Liang, J, Rao, Z. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5F4H
 | | Archael RuvB-like Holiday junction helicase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleotide binding protein PINc | | Authors: | Zhai, B, DuPrez, K.T, Doukov, T.I, Shen, Y, Fan, L. | | Deposit date: | 2015-12-03 | | Release date: | 2016-12-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | Structure and Function of a Novel ATPase that Interacts with Holliday Junction Resolvase Hjc and Promotes Branch Migration.
J. Mol. Biol., 429, 2017
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5FDO
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-16 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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4IMA
 | | The structure of C436M-hLPYK in complex with Citrate/Mn/ATP/Fru-1,6-BP | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ... | | Authors: | Zhang, B, Holyoak, T, Fenton, A.W, Tang, Q.L, Prasannan, C.B, Deng, J.P. | | Deposit date: | 2013-01-02 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
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2R5T
 | | Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G. | | Deposit date: | 2007-09-04 | | Release date: | 2008-09-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP.
Protein Sci., 16, 2007
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6A52
 | | Oxidase ChaP-H1 | | Descriptor: | FE (II) ION, dioxidase ChaP-H1 | | Authors: | Zhang, B, Ge, H.M. | | Deposit date: | 2018-06-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
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2SN3
 | | STRUCTURE OF SCORPION TOXIN VARIANT-3 AT 1.2 ANGSTROMS RESOLUTION | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, SCORPION NEUROTOXIN (VARIANT 3) | | Authors: | Zhao, B, Carson, M, Ealick, S.E, Bugg, C.E. | | Deposit date: | 1992-02-20 | | Release date: | 1994-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of scorpion toxin variant-3 at 1.2 A resolution.
J.Mol.Biol., 227, 1992
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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: | 2024-10-16 | | 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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6A4X
 | | Oxidase ChaP-H2 | | Descriptor: | Bleomycin resistance protein, FE (II) ION | | Authors: | Zhang, B, Wang, Y.S, Ge, H.M. | | Deposit date: | 2018-06-21 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
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6A4Z
 | | Oxidase ChaP | | Descriptor: | ChaP protein, FE (II) ION | | Authors: | Zhang, B, Ge, H.M. | | Deposit date: | 2018-06-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
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7JJ1
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4L1X
 | | Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 V54L Mutant in Complex with NADP+ and Progesterone | | Descriptor: | Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ... | | Authors: | Zhang, B, Hu, X.-J, Lin, S.-X. | | Deposit date: | 2013-06-03 | | Release date: | 2014-04-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
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4L1W
 | | Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone | | Descriptor: | Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ... | | Authors: | Zhang, B, Hu, X.-J, Lin, S.-X. | | Deposit date: | 2013-06-03 | | Release date: | 2014-04-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
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5YWW
 | | Archael RuvB-like Holiday junction helicase | | Descriptor: | GLYCEROL, Nucleotide binding protein PINc | | Authors: | Zhai, B, Yuan, Z, Han, X, DuPrez, K, Shen, Y, Fan, L. | | Deposit date: | 2017-11-30 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | The archaeal ATPase PINA interacts with the helicase Hjm via its carboxyl terminal KH domain remodeling and processing replication fork and Holliday junction.
Nucleic Acids Res., 46, 2018
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6IV8
 | | the selenomethionine(SeMet)-derived Cas13d binary complex | | Descriptor: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | Deposit date: | 2018-12-02 | | Release date: | 2019-06-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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3VBC
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5I95
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | | Deposit date: | 2016-02-19 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
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6IV9
 | | the Cas13d binary complex | | Descriptor: | Cas13d, MAGNESIUM ION, crRNA (50-MER) | | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | Deposit date: | 2018-12-02 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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7XSI
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9BCG
 | | Myeloid cell leukemia-1 (Mcl-1) complexed with compound | | Descriptor: | 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhao, B, Fesik, S.W. | | Deposit date: | 2024-04-09 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor That Demonstrates Potent In Vivo Activities in Mouse Models of Hematological and Solid Tumors.
J.Med.Chem., 67, 2024
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7C2M
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Chimera of drug exporters of the RND superfamily-like protein and Endolysin, N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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7C2N
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine], Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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4OEL
 | | Crystal structure of Cathepsin C in complex with dipeptide substrates | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Dipeptidyl peptidase 1 Heavy chain, ... | | Authors: | Zhao, B, Smallwood, A, Concha, N. | | Deposit date: | 2014-01-13 | | Release date: | 2015-03-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Biochemistry, 51, 2012
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7D2L
 | | Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage | | Descriptor: | 12i1-D647A, CITRIC ACID, DNA (26-MER), ... | | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | | Deposit date: | 2020-09-16 | | Release date: | 2021-05-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
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7D8C
 | | Crystal structure of the Cas12i1-crRNA binary complex | | Descriptor: | 12i1, CITRIC ACID, RNA (3-MER), ... | | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | | Deposit date: | 2020-10-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
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