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9BNA	RE-REFINEMENT OF THE B-DODECAMER D(CGCGAATTCGCG) WITH A COMPARATIVE ANALYSIS OF THE SOLVENT IN IT AND IN THE Z-HEXAMER D(5BRCG5BRCG5BRCG) Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') Authors: Westhof, E. Deposit date: 1990-02-01 Release date: 1991-04-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Re-refinement of the B-dodecamer d(CGCGAATTCGCG) with a comparative analysis of the solvent in it and in the Z-hexamer d(5BrCG5BrCG5BrCG). J.Biomol.Struct.Dyn., 5, 1987
9BN9	Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and two inhibitor A19 molecules Descriptor: CHLORIDE ION, GLYCEROL, N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-05-02 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and two inhibitor A19 molecules To be published
9BN8	Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and inhibitor A19 Descriptor: GLYCEROL, N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide, SULFATE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-05-02 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and inhibitor A19 To be published
9BLG	Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892 Descriptor: (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Bester, S.M, Wu, W.-I, Mou, T.-C. Deposit date: 2024-04-30 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (2.06 Å) Cite: SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy. Cancer Discov, 13, 2023
9BKZ	Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (CoA and ADP bound) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, COENZYME A, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-04-29 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (CoA and ADP bound) To be published
9BKY	Crystal structure of a C2 domain from Trichomonas vaginalis (sulfate bound) Descriptor: GLYCEROL, SULFATE ION, XYPPX repeat family protein Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-04-29 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Crystal structure of a C2 domain from Trichomonas vaginalis (sulfate bound) To be published
9BKW	Crystal structure of a C2 domain from Trichomonas vaginalis Descriptor: XYPPX repeat family protein Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-04-29 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of a C2 domain from Trichomonas vaginalis To be published
9BKT	Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeSO4 solved by Fe/S-SAD Descriptor: FE (II) ION, Rubredoxin Authors: Zhou, D, Chen, L, Rose, J.P, Wang, B.C. Deposit date: 2024-04-29 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeSO4 solved by Fe/S-SAD To Be Published
9BKP	Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD Descriptor: FE (III) ION, Rubredoxin Authors: Zhou, D, Chen, L, Rose, J.P, Wang, B.C. Deposit date: 2024-04-29 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD To Be Published
9BKL	Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD Descriptor: COBALT (II) ION, Rubredoxin Authors: Zhou, D, Chen, L, Rose, J.P, Wang, B.C. Deposit date: 2024-04-29 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD To Be Published
9BKK	Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex Descriptor: Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. Deposit date: 2024-04-29 Release date: 2024-05-22 Method: ELECTRON MICROSCOPY (2.51 Å) Cite: Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling To Be Published
9BKJ	Cholecystokinin 1 receptor (CCK1R) Y140A mutant, Gq chimera (mGsqi) complex Descriptor: AMINO GROUP, Cholecystokinin receptor type A, Cholecystokinin-8, ... Authors: Cary, B.P, Harikumar, K.G, Zhao, P, Desai, A.J, Mobbs, J.M, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. Deposit date: 2024-04-29 Release date: 2024-05-22 Method: ELECTRON MICROSCOPY (2.59 Å) Cite: Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling To Be Published
9BKG	Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength Descriptor: Serine protease 1 Authors: Zhou, D, Chen, L, Rose, J.P, Wang, B.C. Deposit date: 2024-04-27 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength To Be Published
9BKF	Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength Descriptor: Serine protease 1 Authors: Zhou, D, Chen, L, Rose, J.P, Wang, B.C. Deposit date: 2024-04-27 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength To Be Published
9BJU	Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 Descriptor: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... Authors: Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. Deposit date: 2024-04-25 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability To Be Published
9BJL	Crystal structure of Influenza D virus Nucleoprotein (Oklahoma) Descriptor: CHLORIDE ION, Nucleoprotein Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-04-25 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Crystal structure of Influenza D virus Nucleoprotein (Oklahoma) To be published
9BIV	Crystal Structure of Ubc13 with a New Active Site Loop Conformation Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2 Authors: Farraj, R.A, Edwards, R.A, Glover, J.N.M. Deposit date: 2024-04-24 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Crystal Structure of Ubc13 with a New Active Site Loop Conformation To Be Published
9BHS	Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND Authors: kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2024-04-21 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound To be published
9BHR	Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 Authors: kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2024-04-21 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound To be published
9BHA	Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology annealed conformation Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BH9	Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology aligning conformation Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BH8	Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology searching conformation Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BH7	Human DNA polymerase theta helicase domain dimer in the apo form Descriptor: DNA polymerase theta Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BH6	Human DNA polymerase theta helicase domain tetramer in the apo form Descriptor: DNA polymerase theta Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
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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