7SO4
 
 | | Crystal Structure of HIV-1 Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | Authors: | Bertoletti, N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Frey, K.M, Chan, A.H. | | Deposit date: | 2021-10-29 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
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7QCF
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7SF6
 | | Crystal Structure of Siderophore Binding Protein FatB from Desulfitobacterium hafniense | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ... | | Authors: | Kim, Y, Patel, H.P, Nordquist, K.A, Schaab, K.M, Sha, J, Babnigg, G, Bond, A.H, Joachimiak, A, Midwest Center for Structural Genomics, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2021-10-03 | | Release date: | 2021-12-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystal Structure of Siderophore Binding Protein FatB from Desulfitobacterium hafniense
To Be Published
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5VQW
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | Authors: | Chan, A.H, Kudalkar, S.N, Anderson, K.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VQR
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor | | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | Authors: | Chan, A.H, Anderson, K.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1MNV
 | | Actinomycin D binding to ATGCTGCAT | | Descriptor: | 5'-D(*AP*TP*GP*CP*TP*GP*CP*AP*T)-3', ACTINOMYCIN D | | Authors: | Hou, M.-H, Robinson, H, Gao, Y.-G, Wang, A.H.-J. | | Deposit date: | 2002-09-06 | | Release date: | 2002-11-22 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Actinomycin D Bound to the Ctg Triplet Repeat Sequences Linked to Neurological Diseases
Nucleic Acids Res., 30, 2002
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5VQZ
 | | Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | Authors: | Buckingham, A.B, Chan, A.H, Anderson, K.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1MA5
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1MM2
 | | Solution structure of the 2nd PHD domain from Mi2b | | Descriptor: | Mi2-beta, ZINC ION | | Authors: | Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P. | | Deposit date: | 2002-09-02 | | Release date: | 2003-07-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Engineering a Protein Scaffold from a PHD Finger
structure, 11, 2003
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1MA2
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5VQX
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | Authors: | Chan, A.H, Anderson, K.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1M3V
 | | FLIN4: Fusion of the LIM binding domain of Ldb1 and the N-terminal LIM domain of LMO4 | | Descriptor: | ZINC ION, fusion of the LIM interacting domain of ldb1 and the N-terminal LIM domain of LMO4 | | Authors: | Deane, J.E, Mackay, J.P, Kwan, A.H.Y, Sum, E.Y, Visvader, J.E, Matthews, J.M. | | Deposit date: | 2002-06-30 | | Release date: | 2003-05-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4
EMBO J., 22, 2003
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5VQS
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | | Descriptor: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | Authors: | Chan, A.H, Anderson, K.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8DEN
 | | Heme-Free Cytochrome Variant ApoCyt | | Descriptor: | Soluble cytochrome b562 | | Authors: | Hoffnagle, A.H, Eng, V.H, Tezcan, F.A. | | Deposit date: | 2022-06-20 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Computationally Guided Redesign of a Heme-free Cytochrome with Native-like Structure and Stability.
Biochemistry, 61, 2022
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8D1R
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520 | | Descriptor: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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8D25
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530 | | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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8D23
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529 | | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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8DKB
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4FAY
 | | Crystal structure of a trimeric bacterial microcompartment shell protein PduB with glycerol metabolites | | Descriptor: | ACETATE ION, GLYCEROL, Microcompartments protein | | Authors: | Pang, A.H, Prentice, M.B, Pickersgill, R.W. | | Deposit date: | 2012-05-22 | | Release date: | 2012-11-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Substrate channels revealed in the trimeric Lactobacillus reuteri bacterial microcompartment shell protein PduB.
Acta Crystallogr.,Sect.D, 68, 2012
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4F2O
 | | Quisqualate bound to the D655A mutant of the ligand binding domain of GluA3 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2012-05-08 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.912 Å) | | Cite: | The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
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4F3G
 | | Kainate bound to the ligand binding domain of GluA3i | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2012-05-09 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.064 Å) | | Cite: | The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
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6HY2
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8KCM
 | | MmCPDII-DNA complex containing low-dosage, light induced repaired DNA. | | Descriptor: | Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 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: | 2023-08-08 | | 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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4F6O
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4FA8
 | | Multi-pronged modulation of cytokine signaling | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage colony-stimulating factor 1, Secreted protein BARF1, ... | | Authors: | He, X, Shim, A.H. | | Deposit date: | 2012-05-21 | | Release date: | 2012-08-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multipronged attenuation of macrophage-colony stimulating factor signaling by Epstein-Barr virus BARF1.
Proc.Natl.Acad.Sci.USA, 109, 2012
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