7DSD
 
 | | CALHM1 close state with disordered CTH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1 | | Authors: | Ren, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2020-12-30 | | Release date: | 2022-01-05 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
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7DSE
 | | CALHM1 close state with ordered CTH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1 | | Authors: | Ren, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2020-12-30 | | Release date: | 2022-01-05 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
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2K0U
 | | High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct | | Descriptor: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-15 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2K0V
 | | High Resolution Solution NMR Structures of Undamaged DNA Dodecamer Duplex | | Descriptor: | DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-15 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2K0T
 | | High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct | | Descriptor: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-14 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2RJZ
 | | Crystal structure of the type 4 fimbrial biogenesis protein PilO from Pseudomonas aeruginosa | | Descriptor: | PilO protein, SULFATE ION | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-10-16 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Periplasmic domains of Pseudomonas aeruginosa PilN and PilO form a stable heterodimeric complex.
J.Mol.Biol., 394, 2009
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7TPS
 | | Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B. | | Deposit date: | 2022-01-26 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity.
Nat Commun, 13, 2022
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5K0I
 | | mpges1 bound to an inhibitor | | Descriptor: | 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol, GLUTATHIONE, Prostaglandin E synthase, ... | | Authors: | Luz, J.G, Kuklish, S.L. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5J5D
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7XUN
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8UDZ
 | | The Structure of LTBP-49247 Fab Bound to TGFbeta1 Small Latent Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LTBP-49247 Fab Heavy Chain, LTBP-49247 Fab Light Chain, ... | | Authors: | Streich Jr, F.C, Nicholls, S.B, Boston, C.J, Ramachandran, S. | | Deposit date: | 2023-09-29 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | An antibody that inhibits TGF-beta 1 release from latent extracellular matrix complexes attenuates the progression of renal fibrosis.
Sci.Signal., 17, 2024
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7XUK
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7E4J
 | | X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41. | | Descriptor: | Antitoxin, ZINC ION | | Authors: | Pratap, S, Megta, A.K, Talwar, S, Chandresh, S, Pandey, A.K, Krishnan, V. | | Deposit date: | 2021-02-13 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41.
To be published
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9AX6
 | | Tricomplex of RMC-6236, KRAS G12D, and CypA | | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-03-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
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6UK6
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6UJM
 | | Crystal structure of human GAC in complex with inhibitor UPGL00013 | | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00013
To Be Published
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6ULA
 | | Crystal structure of human GAC in complex with inhibitor UPGL00012 | | Descriptor: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-07 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00030
To Be Published
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6UL9
 | | Crystal structure of human GAC in complex with inhibitor UPGL00023 | | Descriptor: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q.Q, Cerione, R.A. | | Deposit date: | 2019-10-07 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
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9BFY
 | | Tri-complex of Compound-12, KRAS G12C, and CypA | | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-04-18 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
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9BG1
 | | Tri-complex of Compound-3, KRAS G12V, and CypA | | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-04-18 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
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6ULJ
 | | Crystal structure of human GAC in complex with inhibitor UPGL00012 | | Descriptor: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-08 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00045
To Be Published
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5T1O
 | | Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424) | | Descriptor: | Phosphocarrier protein NPr, Phosphoenolpyruvate-protein phosphotransferase PtsP | | Authors: | Strickland, M, Stanley, A.M, Wang, G, Schwieters, C.D, Buchanan, S, Peterkofsky, A, Tjandra, N. | | Deposit date: | 2016-08-19 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Structure of the NPr:EIN(Ntr) Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems.
Structure, 24, 2016
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7EW6
 | | Barley photosystem I-LHCI-Lhca5 supercomplex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2021-05-24 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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7F9O
 | | PSI-NDH supercomplex of Barley | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X. | | Deposit date: | 2021-07-04 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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7EU3
 | | Chloroplast NDH complex | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | | Deposit date: | 2021-05-15 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
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