5DZC
 
 | | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound | | Descriptor: | CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ... | | Authors: | Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-25 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
5E58
 | | Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2015-10-08 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Mol.Pharmacol., 89, 2016
|
|
5DI8
 | | Fc Knob-Hole Heterodimer T366W + T366S/L368A/Y407V | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-08-31 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
|
|
5DJ0
 | | Fc Heterodimer Design 11.2 Y349S/K370Y + E357D/S364Q | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
|
|
5CT5
 | | Wild-type Bacillus subtilis lipase A with 10% [BMIM][Cl] | | Descriptor: | 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, SULFATE ION, ... | | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | | Deposit date: | 2015-07-23 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure.
Chembiochem, 16, 2015
|
|
1M94
 | | Solution Structure of the Yeast Ubiquitin-Like Modifier Protein Hub1 | | Descriptor: | Protein YNR032c-a | | Authors: | Ramelot, T.A, Cort, J.R, Yee, A.A, Semesi, A, Edwards, A.M, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-07-26 | | Release date: | 2002-12-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Yeast Ubiquitin-Like Modifier Protein Hub1
J.STRUCT.FUNCT.GENOM., 4, 2003
|
|
1ML9
 | | Structure of the Neurospora SET domain protein DIM-5, a histone lysine methyltransferase | | Descriptor: | Histone H3 methyltransferase DIM-5, UNKNOWN, ZINC ION | | Authors: | Zhang, X, Tamaru, H, Khan, S.I, Horton, J.R, Keefe, L.J, Selker, E.U, Cheng, X. | | Deposit date: | 2002-08-30 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the Neurospora SET domain protein DIM-5,
a histone H3 lysine methyltransferase
Cell(Cambridge,Mass.), 111, 2002
|
|
5EFS
 | | The crystal structure of human kynurenine aminotransferase II | | Descriptor: | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Nematollahi, A, Sun, G, Kwan, A, Harrop, S.J, Hanrahan, J.R, Nadvi, N.A, Church, W.B. | | Deposit date: | 2015-10-26 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.82503 Å) | | Cite: | The crystal structure of human kynurenine aminotransferase II
To Be Published
|
|
5DVO
 | | Fc K392D/K409D homodimer | | Descriptor: | Ig gamma-1 chain C region, SULFATE ION | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-21 | | Release date: | 2016-03-30 | | Last modified: | 2016-04-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
|
|
5CXQ
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in APO form | | Descriptor: | Purine nucleoside phosphorylase | | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2015-07-29 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
|
|
1MUQ
 | | X-ray Crystal Structure of Rattlesnake Venom Complexed With Thiodigalactoside | | Descriptor: | 1-thio-beta-D-galactopyranose-(1-1)-beta-D-galactopyranose, CALCIUM ION, Galactose-specific lectin, ... | | Authors: | Walker, J.R, Nagar, B, Young, N.M, Hirama, T, Rini, J.M. | | Deposit date: | 2002-09-24 | | Release date: | 2003-07-01 | | Last modified: | 2020-10-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure.
Biochemistry, 43, 2004
|
|
1MVS
 | | Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | | Descriptor: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | | Deposit date: | 2002-09-26 | | Release date: | 2003-04-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
|
|
5BX5
 | | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-06-08 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
|
|
5BX4
 | | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with Glucoimidazole | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLUCOIMIDAZOLE, ... | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-06-08 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
|
|
5EPJ
 | | Crystal Structure of chromodomain of CBX7 in complex with inhibitor UNC3866 | | Descriptor: | Chromobox protein homolog 7, UNKNOWN ATOM OR ION, peptide-like inhibitor UNC3866 | | Authors: | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-11 | | Release date: | 2015-12-16 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of chromodomain of CBX7 in complex with inhibitor UNC3866
to be published
|
|
1O5E
 | | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, Serine protease hepsin | | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | | Deposit date: | 2003-09-09 | | Release date: | 2004-09-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
|
|
1NT2
 | | CRYSTAL STRUCTURE OF FIBRILLARIN/NOP5P COMPLEX | | Descriptor: | Fibrillarin-like pre-rRNA processing protein, S-ADENOSYLMETHIONINE, conserved hypothetical protein | | Authors: | Aittaleb, M, Rashid, R, Chen, Q, Palmer, J.R, Daniels, C.J, Li, H. | | Deposit date: | 2003-01-28 | | Release date: | 2003-04-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and function of archaeal box C/D sRNP core proteins.
Nat.Struct.Biol., 10, 2003
|
|
1NYN
 | | Solution NMR Structure of Protein YHR087W from Saccharomyces cerevisiae. Northeast Structural Genomics Consortium Target YTYST425. | | Descriptor: | Hypothetical 12.0 kDa protein in NAM8-GAR1 intergenic region | | Authors: | Cort, J.R, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-13 | | Release date: | 2003-04-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The Shwachman-Bodian-Diamond syndrome protein family is involved in RNA metabolism.
J.Biol.Chem., 280, 2005
|
|
5BX3
 | | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with deoxynojirimycin | | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, CALCIUM ION, ... | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-06-08 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
|
|
5BVU
 | | Crystal structure of Thermoanaerobacterium xylolyticum GH116 beta-glucosidase | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-06-05 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2).
Acs Chem.Biol., 11, 2016
|
|
1O9S
 | | Crystal structure of a ternary complex of the human histone methyltransferase SET7/9 | | Descriptor: | GENE FRAGMENT FOR HISTONE H3, HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC, ... | | Authors: | Xiao, B, Jing, C, Wilson, J.R, Walker, P.A, Vasisht, N, Kelly, G, Howell, S, Taylor, I.A, Blackburn, G.M, Gamblin, S.J. | | Deposit date: | 2002-12-18 | | Release date: | 2003-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and Catalytic Mechanism of the Human Histone Methyltransferase Set7/9
Nature, 421, 2003
|
|
1LVO
 | | Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra alpha-helical domain | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIETHYLENE DIOXIDE, Replicase, ... | | Authors: | Anand, K, Palm, G.J, Mesters, J.R, Siddell, S.G, Ziebuhr, J, Hilgenfeld, R. | | Deposit date: | 2002-05-29 | | Release date: | 2002-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra alpha-helical domain.
EMBO J., 21, 2002
|
|
1LWL
 | | Crystal Structure of Cytochrome P450-cam with a Fluorescent Probe D-8-Ad (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide) | | Descriptor: | ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dunn, A.R, Hays, A.M, Goodin, D.B, Stout, C.D, Chiu, R, Winkler, J.R, Gray, H.B. | | Deposit date: | 2002-05-31 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fluorescent probes for cytochrome P450 structural characterization and inhibitor screening
J.AM.CHEM.SOC., 124, 2002
|
|
5BNH
 | | Crystal structure of the HLTF HIRAN domain with a ssDNA fragment | | Descriptor: | ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ... | | Authors: | Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S. | | Deposit date: | 2015-05-26 | | Release date: | 2016-05-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment
To Be Published
|
|
1KGJ
 | | Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388) | | Descriptor: | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, TRANSTHYRETIN | | Authors: | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | | Deposit date: | 2001-11-27 | | Release date: | 2002-11-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Comparison of binding interactions of dibromoflavonoids with transthyretin.
Acta Biochim.Pol., 48, 2001
|
|
