5X3H
 
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3LXF
 | | Crystal Structure of [2Fe-2S] Ferredoxin Arx from Novosphingobium aromaticivorans | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ferredoxin | | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2010-02-25 | | Release date: | 2010-06-23 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
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2YYK
 | | Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) | | Descriptor: | 4-hydroxyphenylacetate-3-hydroxylase, ACETIC ACID, GLYCEROL, ... | | Authors: | Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K. | | Deposit date: | 2007-04-30 | | Release date: | 2007-09-04 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
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7N46
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3LXI
 | | Crystal Structure of Camphor-Bound CYP101D1 | | Descriptor: | CAMPHOR, Cytochrome P450, PHOSPHATE ION, ... | | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2010-02-25 | | Release date: | 2010-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
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6XV1
 | | Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801 | | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2020-01-21 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
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1C1M
 | | PORCINE ELASTASE UNDER XENON PRESSURE (8 BAR) | | Descriptor: | CALCIUM ION, PROTEIN (PORCINE ELASTASE), SULFATE ION, ... | | Authors: | Prange, T, Schiltz, M, Pernot, L, Colloc'h, N, Longhi, S, Bourguet, W, Fourme, R. | | Deposit date: | 1999-07-22 | | Release date: | 1999-07-28 | | Last modified: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring hydrophobic sites in proteins with xenon or krypton.
Proteins, 30, 1998
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | Descriptor: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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6U87
 | | Pseudomonas aeruginosa HasA mutant - Y75H | | Descriptor: | HasAp, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Brimberry, M, Lanzilotta, W, Wilks, A, Dent, A. | | Deposit date: | 2019-09-04 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Axial Heme Coordination by the Tyr-His Motif in the Extracellular Hemophore HasAp Is Critical for the Release of Heme to the HasR Receptor of Pseudomonas aeruginosa .
Biochemistry, 60, 2021
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6XQB
 | | SARS-CoV-2 RdRp/RNA complex | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Liu, B, Shi, W, Yang, Y. | | Deposit date: | 2020-07-09 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of SARS-CoV-2 RdRp/RNA complex at 3.4 Angstroms resolution
To Be Published
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6XUY
 | | Human Sirt6 13-308 in complex with ADP-ribose | | Descriptor: | NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2020-01-21 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
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7N9T
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6X5Z
 | | Bovine Cardiac Myosin in Complex with Chicken Skeletal Actin and Human Cardiac Tropomyosin in the Rigor State | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J, Bullitt, E. | | Deposit date: | 2020-05-27 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.24 Å) | | Cite: | Cryo-EM and Molecular Docking Shows Myosin Loop 4 Contacts Actin and Tropomyosin on Thin Filaments.
Biophys.J., 119, 2020
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6XB9
 | | Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid | | Descriptor: | 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ... | | Authors: | Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S. | | Deposit date: | 2020-06-05 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
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7N7X
 | | Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution | | Descriptor: | Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain | | Authors: | Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
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7YEB
 | | TR-SFX MmCPDII-DNA complex: 3.35 ns snapshot. Includes 3.35 ns, dark, and extrapolated structure factors | | Descriptor: | CPD photolesion containing DNA, CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photolyase, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2022-07-05 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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7YEI
 | | TR-SFX MmCPDII-DNA complex: 10 ns time-point collected in SACLA. Includes 10 ns, dark, and extrapolated structure factors | | Descriptor: | CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2022-07-05 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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7YEC
 | | TR-SFX MmCPDII-DNA complex: 6 ns snapshot. Includes 6 ns, dark, and extrapolated structure factors | | Descriptor: | CPD photolesion containing DNA, Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2022-07-05 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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7YEK
 | | TR-SFX MmCPDII-DNA complex: 500 ns time-point collected in SACLA. Includes 500 ns, dark, and extrapolated structure factors | | Descriptor: | CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2022-07-06 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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7YEJ
 | | TR-SFX MmCPDII-DNA complex: 100 ns time-point collected in SACLA. Includes 100 ns, dark, and extrapolated structure factors | | Descriptor: | CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2022-07-05 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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7YEL
 | | TR-SFX MmCPDII-DNA complex: 25 us time-point collected in SACLA. Includes 25 us, dark, and extrapolated structure factors | | Descriptor: | CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2022-07-06 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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7YEM
 | | TR-SFX MmCPDII-DNA complex: 200 us time-point collected in SACLA. Includes 200 us, dark, and extrapolated structure factors | | Descriptor: | CPD photolesion containing DNA after repair, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2022-07-06 | | Release date: | 2023-11-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023
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6XDF
 | | Crystal structure of IRE1a in complex with G-4100 | | Descriptor: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Steinbacher, S, Wang, W. | | Deposit date: | 2020-06-10 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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6XDD
 | | Crystal structure of IRE1 in complex with G-3053 | | Descriptor: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Ackerly-Wallweber, H, Wang, W. | | Deposit date: | 2020-06-10 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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3LO9
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