6DIU
 
 | | Crystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74) | | Descriptor: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, GLYCEROL, NS3 protease, ... | | Authors: | Matthew, A.N, Schiffer, C.A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
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1MFW
 | | STRUCTURE OF N-TERMINAL DOUBLECORTIN DOMAIN FROM DCLK: SELENOMETHIONINE LABELED PROTEIN | | Descriptor: | DOUBLECORTIN-LIKE KINASE (N-TERMINAL DOMAIN), SULFATE ION | | Authors: | Kim, M.H, Cierpickil, T, Derewenda, U, Krowarsch, D, Feng, Y, Devedjiev, Y, Dauter, Z, Walsh, C.A, Otlewski, J, Bushweller, J.H, Derewenda, Z. | | Deposit date: | 2002-08-13 | | Release date: | 2003-04-29 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The DCX-domain Tandems of Doublecortin and Doublecortin-like Kinase
Nat.Struct.Biol., 10, 2003
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6DH0
 | | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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1MJD
 | | Structure of N-terminal domain of human doublecortin | | Descriptor: | DOUBLECORTIN | | Authors: | Kim, M.H, Cierpicki, T, Derewenda, U, Krowarsch, D, Feng, Y, Devedjiev, Y, Dauter, Z, Walsh, C.A, Otlewski, J, Bushweller, J.H, Derewenda, Z.S. | | Deposit date: | 2002-08-27 | | Release date: | 2003-04-29 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The DCX-domain Tandems of Doublecortin and Doublecortin-like Kinase
Nat.Struct.Biol., 10, 2003
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6DH8
 | | Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass6 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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6DIS
 | | Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71) | | Descriptor: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ... | | Authors: | Matthew, A.N, Schiffer, C.A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.921 Å) | | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
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6DH1
 | | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass1 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.971 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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3LZ1
 | | Crystal Structure of Nucleosome Core Particle Composed of the Widom 601 DNA Sequence (orientation 2) | | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2A, ... | | Authors: | Vasudevan, D, Chua, E.Y.D, Davey, C.A. | | Deposit date: | 2010-03-01 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of nucleosome core particles containing the '601' strong positioning sequence
J.Mol.Biol., 403, 2010
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3SKE
 | | I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION | | Authors: | Lesburg, C.A, Anilkumar, G.N. | | Deposit date: | 2011-06-22 | | Release date: | 2011-08-31 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
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3LST
 | | Crystal Structure of CalO1, Methyltransferase in Calicheamicin Biosynthesis, SAH bound form | | Descriptor: | 1,2-ETHANEDIOL, CalO1 Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-02-12 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of CalO1: a putative orsellinic acid methyltransferase in the calicheamicin-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 67, 2011
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1LUV
 | | CATALYTIC AND STRUCTURAL EFFECTS OF AMINO-ACID SUBSTITUTION AT HIS 30 IN HUMAN MANGANESE SUPEROXIDE DISMUTASE: INSERTION OF VAL CGAMMA INTO THE SUBSTRATE ACCESS CHANNEL | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn] | | Authors: | Hearn, A.S, Stroupe, M.E, Ramilo, C.A, Luba, J.P, Cabelli, D.E, Tainer, J.A, Silverman, D.N. | | Deposit date: | 2002-05-23 | | Release date: | 2002-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Catalytic and structural effects of amino acid substitution at histidine 30 in human manganese superoxide dismutase: insertion of valine C gamma into the substrate access channel
Biochemistry, 42, 2003
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6DIR
 | | Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67) | | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, NS3 protease, SULFATE ION, ... | | Authors: | Matthew, A.N, Schiffer, C.A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
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6DIV
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67) | | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, GLYCEROL, NS3 protease, ... | | Authors: | Matthew, A.N, Schiffer, C.A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
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6UKM
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2 | | Descriptor: | 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-05 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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3S85
 | | Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611. | | Descriptor: | Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A. | | Deposit date: | 2011-05-27 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
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3LZ0
 | | Crystal Structure of Nucleosome Core Particle Composed of the Widom 601 DNA Sequence (orientation 1) | | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2A, ... | | Authors: | Vasudevan, D, Chua, E.Y.D, Davey, C.A. | | Deposit date: | 2010-03-01 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of nucleosome core particles containing the '601' strong positioning sequence
J.Mol.Biol., 403, 2010
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7N1H
 | | CryoEM structure of Venezuelan equine encephalitis virus VLP in complex with the LDLRAD3 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid, ... | | Authors: | Basore, K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-27 | | Release date: | 2021-10-13 | | Last modified: | 2021-11-10 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of Venezuelan equine encephalitis virus in complex with the LDLRAD3 receptor.
Nature, 598, 2021
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6UI3
 | | GH5-4 broad specificity endoglucanase from Clostridum cellulovorans | | Descriptor: | 1,2-ETHANEDIOL, Cellulase | | Authors: | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | Deposit date: | 2019-09-30 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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6DNA
 | | Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) | | Descriptor: | Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | | Deposit date: | 2018-06-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
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7N1I
 | | CryoEM structure of Venezuelan equine encephalitis virus VLP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid, E1 envelope glycoprotein, ... | | Authors: | Basore, K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-27 | | Release date: | 2021-10-13 | | Last modified: | 2021-11-10 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of Venezuelan equine encephalitis virus in complex with the LDLRAD3 receptor.
Nature, 598, 2021
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6UJT
 | | P-glycoprotein mutant-Y303A and C952A-with BDE100 | | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | | Authors: | Aller, S.G, Le, C.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.17 Å) | | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
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7NBA
 | | Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule. | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ... | | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
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7NB8
 | | Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule. | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ... | | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
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1WNH
 | | Crystal structure of mouse Latexin (tissue carboxypeptidase inhibitor) | | Descriptor: | Latexin | | Authors: | Aagaard, A, Listwan, P, Cowieson, N, Huber, T, Ravasi, T, Wells, C.A, Flanagan, J.U, Hume, D.A, Kobe, B, Martin, J.L. | | Deposit date: | 2004-08-04 | | Release date: | 2005-02-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | An Inflammatory Role for the Mammalian Carboxypeptidase Inhibitor Latexin: Relationship to Cystatins and the Tumor Suppressor TIG1
Structure, 13, 2005
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3NDZ
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