3DHY
 
 | | Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors | | Descriptor: | 5'-S-ethyl-5'-thioadenosine, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Shetty, N.D, Ioerger, T.R, Gokulan, K, Reddy, M.C.M, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2008-06-19 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
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7SFT
 | | Filamin complex-2 | | Descriptor: | Filamin-A, Integrin alpha-IIb light chain, form 2 | | Authors: | Liu, J, Qin, J. | | Deposit date: | 2021-10-04 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A mechanism of platelet integrin alpha IIb beta 3 outside-in signaling through a novel integrin alpha IIb subunit-filamin-actin linkage.
Blood, 141, 2023
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7SC4
 | | filamin complex-1 | | Descriptor: | Filamin-A/Integrin alpha-IIb light chain, form 2 chimera, SULFATE ION | | Authors: | Liu, J, Qin, J. | | Deposit date: | 2021-09-27 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A mechanism of platelet integrin alpha IIb beta 3 outside-in signaling through a novel integrin alpha IIb subunit-filamin-actin linkage.
Blood, 141, 2023
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7YOP
 | | Spiroplasma melliferum FtsZ bound to GMPPNP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chakraborty, J, Pananghat, G. | | Deposit date: | 2022-08-01 | | Release date: | 2023-08-16 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.20003128 Å) | | Cite: | Dynamics of interdomain rotation facilitates FtsZ filament assembly.
J.Biol.Chem., 300, 2024
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7YSZ
 | | Spiroplasma melliferum FtsZ bound to GDP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Chakraborty, J, Pananghat, G. | | Deposit date: | 2022-08-13 | | Release date: | 2023-08-16 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.3000412 Å) | | Cite: | Dynamics of interdomain rotation facilitates FtsZ filament assembly.
J.Biol.Chem., 300, 2024
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4TN2
 | | NS5b in complex with lactam-thiophene carboxylic acids | | Descriptor: | 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein | | Authors: | Chopra, R. | | Deposit date: | 2014-06-02 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4TLR
 | | NS5b in complex with lactam-thiophene carboxylic acids | | Descriptor: | 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b | | Authors: | Chopra, R. | | Deposit date: | 2014-05-30 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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6PX7
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6PX8
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6CDB
 | | Crystal Structure of V66L CzrA in the Zn(II)bound state | | Descriptor: | ArsR family transcriptional regulator, CHLORIDE ION, SODIUM ION, ... | | Authors: | Capdevila, D.A, Campanello, G, Gonzalez-Gutierrez, G, Giedroc, D.P. | | Deposit date: | 2018-02-08 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.
J. Am. Chem. Soc., 140, 2018
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7QI3
 | | Structure of Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase | | Descriptor: | 1,2-ETHANEDIOL, Arylamine N-acetyltransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lowe, E.D, Kotomina, E, Karagianni, E, Boukouvala, S. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase is structurally, functionally and phylogenetically distinct from its N-acetyltransferase (NAT) homologues.
Febs J., 290, 2023
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7O0N
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7P40
 | | P5C3 is a potent fab neutralizer | | Descriptor: | Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL) | | Authors: | perez, L. | | Deposit date: | 2021-07-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
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7PHG
 | | MaP OF P5C3RBD Interface | | Descriptor: | Heavy ChaIn variable, Light ChaIn, Surface glycoprotein | | Authors: | Perez, L. | | Deposit date: | 2021-08-17 | | Release date: | 2021-10-13 | | Last modified: | 2021-10-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
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3ONE
 | | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ... | | Authors: | Brzezinski, K, Jaskolski, M. | | Deposit date: | 2010-08-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
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3ONF
 | | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ... | | Authors: | Brzezinski, K, Jaskolski, M. | | Deposit date: | 2010-08-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
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3OND
 | | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | | Authors: | Brzezinski, K, Jaskolski, M. | | Deposit date: | 2010-08-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
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6D5X
 | | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate | | Descriptor: | 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ... | | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | | Deposit date: | 2018-04-19 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
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7BNR
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7BNK
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5JW9
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5K14
 | | HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog | | Descriptor: | 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile, HIV-1 reverse transcriptase (isolate LW123), HIV-1 reverse transcriptase(isolate HXB2) | | Authors: | Lansdon, E.B. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1.
Eur.J.Med.Chem., 122, 2016
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8FCD
 | | HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI | | Descriptor: | 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2022-12-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
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8FCC
 | | HIV-1 Reverse Transcriptase in complex with 5-membered bicyclic core NNRTI | | Descriptor: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2022-12-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
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8FCE
 | | HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI | | Descriptor: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2022-12-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties.
J.Med.Chem., 66, 2023
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