7SSE
 
 | | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | | Descriptor: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | | Authors: | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-11-10 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
|
|
7T39
 | | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-07 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
To Be Published
|
|
7U9I
 | | Co-crystal structure of human CARM1 in complex with MT556 inhibitor | | Descriptor: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | | Authors: | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-10 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
|
|
7RUO
 | | Crystal structure of human UTP15 | | Descriptor: | U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION | | Authors: | Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-08-17 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human UTP15
To Be Published
|
|
1VYH
 | | PAF-AH Holoenzyme: Lis1/Alfa2 | | Descriptor: | PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB ALPHA SUBUNIT, PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB BETA SUBUNIT | | Authors: | Tarricone, C, Perrina, F, Monzani, S, Massimiliano, L, Knapp, S, Tsai, L.-H, Derewenda, Z.S, Musacchio, A. | | Deposit date: | 2004-04-30 | | Release date: | 2005-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Coupling Paf Signaling to Dynein Regulation: Structure of Lis1 in Complex with Paf-Acetylhydrolase.
Neuron, 44, 2004
|
|
4ODC
 | | Crystal structure of Trematomus bernacchii hemoglobin in a partially cyanided state | | Descriptor: | CYANIDE ION, GLYCEROL, Hemoglobin subunit alpha, ... | | Authors: | Mazzarella, L, Merlino, A, Vitagliano, L, Vergara, A. | | Deposit date: | 2014-01-10 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural modifications induced by the switch from an endogenous bis-histidyl to an exogenous cyanomet hexa-coordination in a tetrameric haemoglobin
RSC ADV, 4, 2014
|
|
4QBB
 | | Structure of the foot-and-mouth disease virus leader proteinase in complex with inhibitor (N~2~-[(3S)-4-({(2R)-1-[(4-CARBAMIMIDAMIDOBUTYL)AMINO]-4-METHYL-1-OXOPENTAN-2-YL}AMINO)-3-HYDROXY-4-OXOBUTANOYL]-L-ARGINYL-L-PROLINAMIDE) | | Descriptor: | Leader protease, N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide, PHOSPHATE ION, ... | | Authors: | Grishkovskaya, I, Steinberger, J, Cencic, R, Juliano, M.A, Juliano, L, Skern, T. | | Deposit date: | 2014-05-07 | | Release date: | 2014-11-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Foot-and-mouth disease virus leader proteinase: Structural insights into the mechanism of intermolecular cleavage.
Virology, 468-470C, 2014
|
|
4J5B
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
|
|
4J59
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
|
|
4J5C
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
|
|
4J5E
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
|
|
4J5D
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
|
|
4Q4N
 | | Structure of the Resuscitation Promoting Factor Interacting protein RipA mutated at H432 | | Descriptor: | Peptidoglycan endopeptidase RipA | | Authors: | Squeglia, F, Ruggiero, A, Romano, M, Vitagliano, L, Berisio, R. | | Deposit date: | 2014-04-15 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Mutational and structural study of RipA, a key enzyme in Mycobacterium tuberculosis cell division: evidence for the L-to-D inversion of configuration of the catalytic cysteine.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4Q4T
 | | Structure of the Resuscitation Promoting Factor Interacting protein RipA mutated at E444 | | Descriptor: | FORMIC ACID, GLYCEROL, Peptidoglycan endopeptidase RipA | | Authors: | Squeglia, F, Ruggiero, A, Romano, M, Vitagliano, L, Berisio, R. | | Deposit date: | 2014-04-15 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Mutational and structural study of RipA, a key enzyme in Mycobacterium tuberculosis cell division: evidence for the L-to-D inversion of configuration of the catalytic cysteine.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4PSH
 | | Structure of holo ArgBP from T. maritima | | Descriptor: | ABC-type transporter, periplasmic subunit family 3, ARGININE | | Authors: | Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L. | | Deposit date: | 2014-03-07 | | Release date: | 2014-07-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima
Plos One, 9, 2014
|
|
4PRS
 | | Structure of apo ArgBP from T. maritima | | Descriptor: | ABC-type transporter, periplasmic subunit family 3 | | Authors: | Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L. | | Deposit date: | 2014-03-06 | | Release date: | 2014-07-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima
Plos One, 9, 2014
|
|
3QYU
 | | Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature | | Descriptor: | Peptidyl-prolyl cis-trans isomerase F | | Authors: | Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F. | | Deposit date: | 2011-03-04 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
|
|
5AEQ
 | | Neuronal calcium sensor (NCS-1)from Rattus norvegicus | | Descriptor: | CALCIUM ION, NEURONAL CALCIUM SENSOR 1, SODIUM ION | | Authors: | Saleem, M, Karuppiah, V, Pandalaneni, S, Burgoyne, R, Derrick, J.P, Lian, L.Y. | | Deposit date: | 2015-01-08 | | Release date: | 2015-02-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Neuronal Calcium Sensor-1 Binds the D2 Dopamine Receptor and G-Protein-Coupled Receptor Kinase 1 (Grk1) Peptides Using Different Modes of Interactions.
J.Biol.Chem., 290, 2015
|
|
2LNS
 | | Solution structure of AGR2 residues 41-175 | | Descriptor: | Anterior gradient protein 2 homolog | | Authors: | Patel, P, Clarke, C.J, Barraclough, D.L, Rudland, P.S, Barraclough, R, Lian, L. | | Deposit date: | 2012-01-04 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion.
J.Mol.Biol., 425, 2013
|
|
2LV7
 | | Solution structure of Ca2+-bound CaBP7 N-terminal doman | | Descriptor: | CALCIUM ION, Calcium-binding protein 7 | | Authors: | Mccue, H.V, Patel, P, Herbert, A.P, Lian, L, Burgoyne, R.D, Haynes, L.P. | | Deposit date: | 2012-06-29 | | Release date: | 2012-09-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the Ca2+-bound N-terminal Domain of CaBP7: A REGULATOR OF GOLGI TRAFFICKING.
J.Biol.Chem., 287, 2012
|
|
5AER
 | | Neuronal calcium sensor-1 (NCS-1)from Rattus norvegicus complex with D2 dopamine receptor peptide from Homo sapiens | | Descriptor: | CALCIUM ION, D(2) DOPAMINE RECEPTOR, NEURONAL CALCIUM SENSOR 1, ... | | Authors: | Saleem, M, Karuppiah, V, Pandalaneni, S, Burgoyne, R, Derrick, J.P, Lian, L.Y. | | Deposit date: | 2015-01-08 | | Release date: | 2015-02-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Neuronal Calcium Sensor-1 Binds the D2 Dopamine Receptor and G-Protein-Coupled Receptor Kinase 1 (Grk1) Peptides Using Different Modes of Interactions.
J.Biol.Chem., 290, 2015
|
|
1FT0
 | | CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI K113A MUTANT | | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | | Deposit date: | 2000-09-11 | | Release date: | 2001-05-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI.
Acta Crystallogr.,Sect.D, 57, 2001
|
|
1FT3
 | | CRYSTAL STRUCTURE OF TRUNCATED RHOGDI K141A MUTANT | | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | | Deposit date: | 2000-09-11 | | Release date: | 2001-05-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI.
Acta Crystallogr.,Sect.D, 57, 2001
|
|
1FST
 | | CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI TRIPLE MUTANT | | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | | Deposit date: | 2000-09-11 | | Release date: | 2001-05-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI.
Acta Crystallogr.,Sect.D, 57, 2001
|
|
2LNT
 | | Solution structure of E60A mutant AGR2 | | Descriptor: | Anterior gradient protein 2 homolog | | Authors: | Patel, P, Clarke, C.J, Barraclough, D.L, Rudland, P.S, Barraclough, R, Lian, L. | | Deposit date: | 2012-01-04 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion.
J.Mol.Biol., 425, 2013
|
|
