2M56
 
 | | The structure of the complex of cytochrome P450cam and its electron donor putidaredoxin determined by paramagnetic NMR spectroscopy | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Hiruma, Y, Hass, M.A.S, Ubbink, M. | | Deposit date: | 2013-02-14 | | Release date: | 2013-08-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography.
J.Mol.Biol., 425, 2013
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2NW8
 | | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and tryptophan. Northeast Structural Genomics Target XcR13. | | Descriptor: | MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ... | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2NW9
 | | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast Structural Genomics Target XcR13 | | Descriptor: | 6-FLUORO-L-TRYPTOPHAN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1TRN
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1TTZ
 | | X-ray structure of Northeast Structural Genomics target protein XcR50 from X. campestris | | Descriptor: | conserved hypothetical protein | | Authors: | Kuzin, A.P, Vorobiev, S.M, Lee, I, Acton, T.B, Ho, C.K, Cooper, B, Ma, L.-C, Xiao, R, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-06-23 | | Release date: | 2004-07-13 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | X-ray structure of Northeast Structural Genomics target protein XcR50 from X. campestris
To be Published
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2L8M
 | | Reduced and CO-bound cytochrome P450cam (CYP101A1) | | Descriptor: | CAMPHOR, CARBON MONOXIDE, CHLORIDE ION, ... | | Authors: | Pochapsky, T.C, Pochapsky, S.S, Dang, M, Asciutto, E, Madura, J. | | Deposit date: | 2011-01-19 | | Release date: | 2011-02-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam).
Biochemistry, 50, 2011
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8QEZ
 | | Crystal structure of the AMPA receptor GluA2-L504Y-N775S ligand binding domain in complex with L-glutamate and positive allosteric modulator BPAM395 at 1.55A resolution | | Descriptor: | 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ... | | Authors: | Dorosz, J, Laulumaa, S, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2023-09-01 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Exploring thienothiadiazine dioxides as isosteric analogues of benzo- and pyridothiadiazine dioxides in the search of new AMPA and kainate receptor positive allosteric modulators.
Eur.J.Med.Chem., 264, 2023
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3HJH
 | | A rigid N-terminal clamp restrains the motor domains of the bacterial transcription-repair coupling factor | | Descriptor: | COBALT (II) ION, Transcription-repair-coupling factor | | Authors: | Murphy, M, Gong, P, Ralto, K, Manelyte, L, Savery, N, Theis, K. | | Deposit date: | 2009-05-21 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An N-terminal clamp restrains the motor domains of the bacterial transcription-repair coupling factor Mfd.
Nucleic Acids Res., 37, 2009
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6VS0
 | | protein B | | Descriptor: | CHLORAMPHENICOL, Multidrug transporter MdfA, PRASEODYMIUM ION | | Authors: | Lu, M, Lu, M.M. | | Deposit date: | 2020-02-10 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of a redesigned multidrug transporter from the Major Facilitator Superfamily.
Sci Rep, 10, 2020
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6VRZ
 | | protein A | | Descriptor: | CHLORAMPHENICOL, Multidrug transporter MdfA, PRASEODYMIUM ION | | Authors: | Lu, M, Lu, M.M. | | Deposit date: | 2020-02-10 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of a redesigned multidrug transporter from the Major Facilitator Superfamily.
Sci Rep, 10, 2020
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1MU7
 | | Crystal Structure of a Human Tyrosyl-DNA Phosphodiesterase (Tdp1)-Tungstate Complex | | Descriptor: | GLYCEROL, TUNGSTATE(VI)ION, Tyrosyl-DNA Phosphodiesterase | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 2002-09-23 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-DNA Phosphodiesterase (Tdp1) from Vanadate- and Tungstate-Inhibited Structures
J.Mol.Biol., 324, 2003
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6WED
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6WEE
 | | Copper-bound M88I variant of Campylobacter jejuni P19 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, GLYCEROL, ... | | Authors: | Chan, A.C, Murphy, M.E. | | Deposit date: | 2020-04-02 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A copper site is required for iron transport by the periplasmic proteins P19 and FetP.
Metallomics, 12, 2020
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6WEF
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1MFF
 | | MACROPHAGE MIGRATION INHIBITORY FACTOR Y95F MUTANT | | Descriptor: | MACROPHAGE MIGRATION INHIBITORY FACTOR | | Authors: | Taylor, A.B, Stamps, S.L, Wang, S.C, Hackert, M.L, Whitman, C.P. | | Deposit date: | 1998-10-19 | | Release date: | 1999-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of the phenylpyruvate tautomerase activity of macrophage migration inhibitory factor: properties of the P1G, P1A, Y95F, and N97A mutants.
Biochemistry, 39, 2000
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3RB9
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1MU9
 | | Crystal Structure of a Human Tyrosyl-DNA Phosphodiesterase (Tdp1)-Vanadate Complex | | Descriptor: | GLYCEROL, Tyrosyl-DNA Phosphodiesterase, VANADATE ION | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 2002-09-23 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-DNA Phosphodiesterase (Tdp1) from Vanadate- and Tungstate-Inhibited Structures
J.Mol.Biol., 324, 2002
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6P3J
 | | Crystal structure of LigU | | Descriptor: | (4E)-oxalomesaconate Delta-isomerase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Cory, S.A, Hogancamp, T.N, Raushel, F.M, Barondeau, D.P. | | Deposit date: | 2019-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure and Chemical Reaction Mechanism of LigU, an Enzyme That Catalyzes an Allylic Isomerization in the Bacterial Degradation of Lignin.
Biochemistry, 58, 2019
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1MM9
 | | Streptavidin Mutant with Insertion of Fibronectin Hexapeptide, including RGD | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Streptavidin | | Authors: | Le Trong, I, McDevitt, T.C, Nelson, K.E, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 2002-09-03 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural characterization and comparison of RGD cell-adhesion recognition sites engineered into streptavidin.
Acta Crystallogr.,Sect.D, 59, 2003
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1MOY
 | | Streptavidin Mutant with Osteopontin Hexapeptide Insertion Including RGD | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Streptavidin | | Authors: | Le Trong, I, McDevitt, T.C, Nelson, K.E, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 2002-09-10 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural characterization and comparison of RGD cell-adhesion recognition sites engineered into streptavidin.
Acta Crystallogr.,Sect.D, 59, 2003
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6V0A
 | | Crystal structure of cytochrome c nitrite reductase from the bacterium Geobacter lovleyi with bound sulfate | | Descriptor: | HEME C, Nitrite reductase (cytochrome; ammonia-forming), SULFATE ION | | Authors: | Satyanarayana, L, Campecino, J, Hegg, L.H, Hu, J. | | Deposit date: | 2019-11-18 | | Release date: | 2020-06-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Cytochromecnitrite reductase from the bacteriumGeobacter lovleyirepresents a new NrfA subclass.
J.Biol.Chem., 295, 2020
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8E6C
 | | Crystal structure of MERS 3CL protease in complex with a m-fluorophenyl dimethyl sulfane inhibitor | | Descriptor: | Orf1a protein, [2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-08-22 | | Release date: | 2022-09-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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8E5X
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl sulfinyl benzene inhibitor | | Descriptor: | (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, ... | | Authors: | Lovell, S, Machen, A.J, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-08-22 | | Release date: | 2022-09-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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8E6A
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorophenylethanol based inhibitor | | Descriptor: | (1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-08-22 | | Release date: | 2022-09-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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1R49
 | | Human topoisomerase I (Topo70) double mutant K532R/Y723F | | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(P*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', DNA topoisomerase I | | Authors: | Interthal, H, Quigley, P.M, Hol, W.G, Champoux, J.J. | | Deposit date: | 2003-10-03 | | Release date: | 2003-12-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | The role of lysine 532 in the catalytic mechanism of human topoisomerase I.
J.Biol.Chem., 279, 2004
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