6XA4
 
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241 | | Descriptor: | 3C-like proteinase, GLYCEROL, inhibitor UAW241 | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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1X8C
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6XFN
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | | Descriptor: | 3C-like proteinase, GLYCEROL, UAW243 | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-15 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6XBH
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6XBG
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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7MDP
 | | KRas G12C in complex with G-2897 | | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ... | | Authors: | Oh, A, Frank, Y, Wang, W. | | Deposit date: | 2021-04-05 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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7N9C
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7N9E
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7N9B
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1KN5
 | | SOLUTION STRUCTURE OF ARID DOMAIN OF ADR6 FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | Transcription regulatory protein ADR6 | | Authors: | Tu, X, Wu, J, Xu, Y, Shi, Y. | | Deposit date: | 2001-12-18 | | Release date: | 2002-07-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | 1H, 13C and 15N resonance assignments and secondary structure of ADR6 DNA-binding domain.
J.Biomol.Nmr, 21, 2001
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1KKX
 | | Solution structure of the DNA-binding domain of ADR6 | | Descriptor: | Transcription regulatory protein ADR6 | | Authors: | Tu, X, Wu, J, Xu, Y, Shi, Y. | | Deposit date: | 2001-12-10 | | Release date: | 2002-07-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | 1H, 13C and 15N resonance assignments and secondary structure of ADR6 DNA-binding domain.
J.Biomol.Nmr, 21, 2001
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8K4F
 | | DHODH in complex with compound A0 | | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | | Authors: | Jian, L, Sun, Q. | | Deposit date: | 2023-07-18 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
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8CIJ
 | | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | | Descriptor: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Musil, D, Toure, M. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
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2WW3
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with thiomannobioside | | Descriptor: | CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE, ... | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic Insights Into a Ca(2+)-Dependent Family of Alpha-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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8CDW
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2WW0
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 | | Descriptor: | 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Suits, M.D.L, Thompson, A, Zhu, Y, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2WVZ
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 | | Descriptor: | CALCIUM ION, GLYCEROL, KIFUNENSINE, ... | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2WVY
 | | STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT2199 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 | | Descriptor: | ALPHA-1,2-MANNOSIDASE | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2WW2
 | | Structure of the Family GH92 Inverting Mannosidase BT2199 from Bacteroides thetaiotaomicron VPI-5482 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, ALPHA-1,2-MANNOSIDASE, ... | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2WW1
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Thiomannobioside | | Descriptor: | PUTATIVE ALPHA-1,2-MANNOSIDASE, alpha-D-mannopyranose-(1-2)-methyl 2-thio-alpha-D-mannopyranoside | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2WVX
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 | | Descriptor: | CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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7N9T
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7YUK
 | | Complex structure of BANP BEN domain bound to DNA | | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP | | Authors: | Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R. | | Deposit date: | 2022-08-17 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
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7YUG
 | | Structure of human BANP BEN domain | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R. | | Deposit date: | 2022-08-17 | | Release date: | 2023-04-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
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7YUL
 | | Crystal structure of human BEND6 BEN domain in complex with DNA | | Descriptor: | BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCOLIC ACID | | Authors: | Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R. | | Deposit date: | 2022-08-17 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
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