4HQM
 
 | | The crystal structure of QsrR-menadione complex | | Descriptor: | 2-methylnaphthalene-1,4-diol, QsrR protein | | Authors: | Ji, Q, Zhang, L, Jones, M.B, Sun, F, Deng, X, Liang, H, Brugarolas, P, Gao, N, Peterson, S.N, Lan, L, Bae, T, He, C. | | Deposit date: | 2012-10-25 | | Release date: | 2013-03-06 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Molecular mechanism of quinone signaling mediated through S-quinonization of a YodB family repressor QsrR.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4KQW
 | | The structure of the Slackia exigua KARI in complex with NADP | | Descriptor: | Ketol-acid reductoisomerase, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HQE
 | | The crystal structure of QsrR-DNA complex | | Descriptor: | DNA (5'-D(*AP*GP*TP*AP*TP*AP*AP*TP*TP*AP*TP*TP*AP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*AP*TP*AP*AP*TP*TP*AP*TP*AP*CP*T)-3'), Transcriptional regulator QsrR | | Authors: | He, C, Ji, Q, Zhang, L. | | Deposit date: | 2012-10-25 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Molecular mechanism of quinone signaling mediated through S-quinonization of a YodB family repressor QsrR.
Proc.Natl.Acad.Sci.USA, 110, 2013
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8GOE
 | | Structure of hSLC19A1+5-MTHF | | Descriptor: | N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Reduced folate transporter | | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | | Deposit date: | 2022-08-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
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4FZP
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4FZO
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4MC9
 | | HIV protease in complex with AA74 | | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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8GOF
 | | Structure of hSLC19A1+PMX | | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Reduced folate transporter | | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | | Deposit date: | 2022-08-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
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4O0U
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7OG7
 | | Crystal structure of the copper chaperone NosL from Shewanella denitrificans | | Descriptor: | ACETONITRILE, COPPER (I) ION, NosL, ... | | Authors: | Prasser, B, Schoener, L, Zhang, L, Einsle, O. | | Deposit date: | 2021-05-06 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4JNM
 | | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | | Descriptor: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | | Deposit date: | 2013-03-15 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.
Bioorg.Med.Chem.Lett., 23, 2013
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4MC2
 | | HIV protease in complex with SA525P | | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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4MC6
 | | HIV protease in complex with SA499 | | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ... | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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4KQX
 | | Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor | | Descriptor: | HISTIDINE, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4O0S
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4O0W
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4MC1
 | | HIV protease in complex with SA526P | | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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4OPN
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7CHO
 | | Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.561 Å) | | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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7BVH
 | | Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose | | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ... | | Authors: | Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7KUG
 | | Fe-S cluster-bound transcription activator WhiB7 in complex with the SigmaAr4-RNAP Beta flap tip chimera | | Descriptor: | IRON/SULFUR CLUSTER, Probable transcriptional regulator WhiB7, RNA polymerase sigma factor, ... | | Authors: | Wan, T, Horova, M, Beltran, D.G, Li, S.R, Zhang, L.M. | | Deposit date: | 2020-11-24 | | Release date: | 2021-06-30 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insights into the functional divergence of WhiB-like proteins in Mycobacterium tuberculosis.
Mol.Cell, 81, 2021
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7KUF
 | | Transcription activation subcomplex with WhiB7 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA | | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*AP*AP*AP*TP*CP*GP*GP*TP*TP*GP*TP*GP*GP*T)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*AP*AP*CP*CP*GP*AP*TP*TP*TP*TP*CP*T)-3'), IRON/SULFUR CLUSTER, ... | | Authors: | Wan, T, Horova, M, Beltran, D.G, Li, S.R, Zhang, L.M. | | Deposit date: | 2020-11-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into the functional divergence of WhiB-like proteins in Mycobacterium tuberculosis.
Mol.Cell, 81, 2021
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5NFS
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7CHS
 | | Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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7CHP
 | | Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ... | | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.357 Å) | | Cite: | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
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