1TA8
 
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3EXM
 | | Crystal structure of the phosphatase SC4828 with the non-hydrolyzable nucleotide GPCP | | Descriptor: | CALCIUM ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ... | | Authors: | Singer, A.U, Xu, X, Zheng, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-10-16 | | Release date: | 2008-12-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and mechanism of a new family of prokaryotic nucleoside diphosphatases.
To be Published
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4QYR
 | | Streptomyces platensis isomigrastatin ketosynthase domain MgsE KS3 | | Descriptor: | ACETIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... | | Authors: | Kim, Y, Li, H, Endres, M, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6RJK
 | | Structure of virulence factor SghA from Agrobacterium tumefaciens | | Descriptor: | Beta-glucosidase | | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | | Deposit date: | 2019-04-27 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6RJM
 | | Complex structure of virulence factor SghA and its hydrolysis product glucose | | Descriptor: | Beta-glucosidase, alpha-D-glucopyranose | | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | | Deposit date: | 2019-04-27 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.112 Å) | | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6RJO
 | | Complex structure of virulence factor SghA with its substrate analog salicin | | Descriptor: | 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, Beta-glucosidase | | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | | Deposit date: | 2019-04-28 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6RK2
 | | Complex structure of virulence factor SghA mutant with its substrate SAG | | Descriptor: | 2-(alpha-L-altropyranosyloxy)benzoic acid, Beta-glucosidase | | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | | Deposit date: | 2019-04-30 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7N3C
 | | Crystal Structure of Human Fab S24-202 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Nucleoprotein, ... | | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-31 | | Release date: | 2021-07-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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7N3D
 | | Crystal Structure of Human Fab S24-1564 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nucleoprotein, ... | | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-31 | | Release date: | 2021-07-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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7STS
 | | Crystal Structure of Human Fab S24-1379 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2 | | Descriptor: | Fab S24-1379, heavy chain, light chain, ... | | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-11-15 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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7SUE
 | | Crystal Structure of Human Fab S24-188 in the complex with the N-teminal Domain of Nucleocapsid protein from SARS CoV-2 | | Descriptor: | Nucleoprotein, S24-188 Fab Heavy chain, S24-188 Fab Light chain | | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-11-17 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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7STR
 | | Crystal Structure of Human Fab S24-1063 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, Fab S24-1063, Heavy chain, ... | | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-11-15 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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5LOF
 | | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | | Deposit date: | 2016-08-09 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
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6WQH
 | | Molecular basis for the ATPase-powered substrate translocation by the Lon AAA+ protease | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ig2 substrate, Lon protease, ... | | Authors: | Zhang, K, Li, S, Hsiehb, K, Sub, S, Pintilie, G, Chiu, W, Chang, C. | | Deposit date: | 2020-04-28 | | Release date: | 2021-06-09 | | Last modified: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular basis for ATPase-powered substrate translocation by the Lon AAA+ protease.
J.Biol.Chem., 297, 2021
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6NSL
 | | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE | | Descriptor: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | | Authors: | Muckelbauer, J.M, Khan, J.A. | | Deposit date: | 2019-01-25 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6NZF
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6NZE
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6NZH
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4TX9
 | | Crystal structure of HisAp from Streptomyces sviceus with degraded ProFAR | | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Phosphoribosyl isomerase A, SULFATE ION | | Authors: | Michalska, K, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-07-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
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4W9T
 | | Crystal structure of HisAP from Streptomyces sp. Mg1 | | Descriptor: | Phosphoribosyl isomerase A, SULFATE ION | | Authors: | MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
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8G5T
 | | Crystal structure of apo TnmK2 | | Descriptor: | TnmK2 | | Authors: | Liu, Y.-C, Gui, C, Shen, B. | | Deposit date: | 2023-02-14 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.846 Å) | | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
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8G5U
 | | Crystal structure of TnmK2 complexed with TNM B | | Descriptor: | TnmK2, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate | | Authors: | Liu, Y.-C, Gui, C, Shen, B. | | Deposit date: | 2023-02-14 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
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8G5S
 | | Crystal structure of apo TnmJ | | Descriptor: | TnmJ | | Authors: | Liu, Y.-C, Li, G, Gui, C, Shen, B. | | Deposit date: | 2023-02-14 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
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5KQF
 | | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1 | | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1 | | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-07 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.
J.Med.Chem., 59, 2016
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5KR8
 | | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (compound 5) bound to BACE1 | | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, IODIDE ION | | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | | Deposit date: | 2016-07-07 | | Release date: | 2016-09-07 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (2.118 Å) | | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors.
J.Med.Chem., 59, 2016
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