6TN1
 
 | | Unliganded Crystal Structure of Recombinant GBA | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2019-12-05 | | Release date: | 2020-06-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
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6JVR
 | | Crystal structure of human MTH1 in complex with compound MI1026 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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4BVB
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND ADP-RIBOSE | | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ... | | Authors: | Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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4O1X
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5TAN
 | | Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 3) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-10 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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6HI2
 | | PI3 Kinase Delta in complex with 3{6[(1S,6R)3oxabicyclo[4.1.0]heptan6yl]pyridin2yl}phenol | | Descriptor: | 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Summers, D, Peace, S. | | Deposit date: | 2018-08-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
to be published
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7X4I
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5TA3
 | | Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 2) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-09 | | Release date: | 2016-10-12 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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3I2H
 | | Cocaine Esterase with mutation L169K, bound to DTT adduct | | Descriptor: | (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ... | | Authors: | Tesmer, J.J.G, Nance, M.R. | | Deposit date: | 2009-06-29 | | Release date: | 2010-06-16 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
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6HL5
 | | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954) | | Descriptor: | Apoptosis-stimulating of p53 protein 1, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J. | | Deposit date: | 2018-09-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954)
To Be Published
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8I0T
 | | The cryo-EM structure of human Bact-III complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Crooked neck-like protein 1, ... | | Authors: | Zhan, X, Lu, Y, Shi, Y. | | Deposit date: | 2023-01-11 | | Release date: | 2024-07-31 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
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4Z8W
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8I0V
 | | The cryo-EM structure of human post-Bact complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Crooked neck-like protein 1, ... | | Authors: | Zhan, X, Lu, Y, Shi, Y. | | Deposit date: | 2023-01-11 | | Release date: | 2024-07-31 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
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8I0U
 | | The cryo-EM structure of human Bact-IV complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Crooked neck-like protein 1, ... | | Authors: | Zhan, X, Lu, Y, Shi, Y. | | Deposit date: | 2023-01-11 | | Release date: | 2024-07-31 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
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7WHB
 | | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Zeng, J.W, Ge, J.W, Wang, X.Q. | | Deposit date: | 2021-12-30 | | Release date: | 2023-01-18 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
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8I0W
 | | The cryo-EM structure of human C complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Coiled-coil domain-containing protein 94, ... | | Authors: | Zhan, X, Lu, Y, Shi, Y. | | Deposit date: | 2023-01-11 | | Release date: | 2024-07-31 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
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6KIE
 | | Crystal structure of human leucyl-tRNA synthetase, Leu-AMS-bound form | | Descriptor: | 5'-O-(L-leucylsulfamoyl)adenosine, LEUCINE, Leucine--tRNA ligase, ... | | Authors: | Kim, S, Son, J, Kim, S, Hwang, K.Y. | | Deposit date: | 2019-07-18 | | Release date: | 2021-01-27 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Leucine-sensing mechanism of leucyl-tRNA synthetase 1 for mTORC1 activation.
Cell Rep, 35, 2021
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5MXA
 | | Structure of unbound Interleukin-23 | | Descriptor: | Interleukin-12 subunit beta, Interleukin-23 subunit alpha, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bloch, Y, Savvides, S.N. | | Deposit date: | 2017-01-22 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
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6KIL
 | | N21Q mutant thioredoxin from Halobacterium salinarum NRC-1 | | Descriptor: | Thioredoxin | | Authors: | Arai, S, Shibazaki, C, Shimizu, R, Adachi, M, Ishibashi, M, Tokunaga, H, Tokunaga, M. | | Deposit date: | 2019-07-19 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Catalytic mechanism and evolutional characteristics of thioredoxin from Halobacterium salinarum NRC-1.
Acta Crystallogr.,Sect.D, 76, 2020
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4Z9O
 | | Crystal Structure of human GGT1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Terzyan, S.S, Hanigan, M.H. | | Deposit date: | 2015-04-10 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
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5TEY
 | | Human METTL3-METTL14 complex | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | | Authors: | DONG, A, ZENG, H, LI, Y, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-23 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human METTL3-METTL14 complex
to be published
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7DNQ
 | | Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine, CHLORIDE ION, ... | | Authors: | Tiwari, S, Pal, R.K, Biswal, B.K. | | Deposit date: | 2020-12-10 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
To Be Published
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1MAL
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4IZ0
 | | Crystal structure of HCV NS5B polymerase in complex with 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide | | Descriptor: | 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide, RNA-directed RNA polymerase | | Authors: | Coulombe, R. | | Deposit date: | 2013-01-29 | | Release date: | 2013-04-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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7TJP
 | | HIV-1 gp120 complex with CJF-II-195 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ... | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-01-16 | | Release date: | 2023-01-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
Acs Medicinal Chemistry Letters, 14, 2023
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