6YVF
 
 | | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | | Descriptor: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-04-28 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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8A4T
 | | crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | Deposit date: | 2022-06-13 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
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4GXO
 | | Crystal structure of Staphylococcus aureus protein SarZ mutant C13E | | Descriptor: | GLYCEROL, MarR family regulatory protein | | Authors: | Sun, F, Ding, Y, Ji, Q, Liang, Z, Deng, X, Wong, C.C, Yi, C, Zhang, L, Xie, S, Alvarez, S, Hicks, L.M, Luo, C, Jiang, H, Lan, L, He, C. | | Deposit date: | 2012-09-04 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7O14
 | | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 1 | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O15
 | | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 2 | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O12
 | | ABC transporter NosDFY, AMPPNP-bound in GDN | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ABC transporter ATP-binding protein NosF, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O0Y
 | | ABC transporter NosDFY, nucleotide-free in GDN | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O11
 | | ABC transporter NosDFY, nucleotide-free in GDN, R-domain 1 | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O16
 | | ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 3 | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O10
 | | ABC transporter NosDFY, nucleotide-free in GDN, R-domain 2 | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O17
 | | ABC transporter NosDFY E154Q, ATP-bound in lipid nanodisc | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O0Z
 | | ABC transporter NosFY, nucleotide-free in GDN | | Descriptor: | Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter permease protein NosY | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7O13
 | | ABC transporter NosDFY, nucleotide-free in lipid nanodisc | | Descriptor: | MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J. | | Deposit date: | 2021-03-28 | | Release date: | 2022-11-02 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSG
 | | ABC Transporter complex NosDFYL, consensus refinement | | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | Deposit date: | 2021-06-08 | | Release date: | 2022-06-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSH
 | | ABC Transporter complex NosDFYL, R-domain 2 | | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | Deposit date: | 2021-06-08 | | Release date: | 2022-06-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSJ
 | | ABC Transporter complex NosDFYL, membrane anchor | | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | Deposit date: | 2021-06-08 | | Release date: | 2022-06-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSI
 | | ABC Transporter complex NosDFYL, R-domain 3 | | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | Deposit date: | 2021-06-08 | | Release date: | 2022-06-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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7OSF
 | | ABC Transporter complex NosDFYL, R-domain 1 | | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | Deposit date: | 2021-06-08 | | Release date: | 2022-06-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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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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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6EBA
 | | Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation | | Descriptor: | Major facilitator family transporter | | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | | Deposit date: | 2018-08-06 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.812 Å) | | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
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6E8J
 | | Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Occupied Conformation | | Descriptor: | Major facilitator family transporter | | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | | Deposit date: | 2018-07-30 | | Release date: | 2019-08-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.091 Å) | | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
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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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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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8YFW
 | | Cryo EM structure of human phosphate channel XPR1 at intermediate state | | Descriptor: | Solute carrier family 53 member 1 | | Authors: | Lu, Y, Yue, C, Zhang, L, Yao, D, Yu, Y, Cao, Y. | | Deposit date: | 2024-02-25 | | Release date: | 2024-10-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Structural basis for inositol pyrophosphate gating of the phosphate channel XPR1.
Science, 2024
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