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7SSE
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BU of 7sse by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70
分子名称: DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
著者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)
登録日2021-11-10
公開日2021-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
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BU of 7t39 by Molmil
Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
分子名称: 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
著者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)
登録日2021-12-07
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
To Be Published
7U9I
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BU of 7u9i by Molmil
Co-crystal structure of human CARM1 in complex with MT556 inhibitor
分子名称: 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
著者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)
登録日2022-03-10
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
7RUO
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BU of 7ruo by Molmil
Crystal structure of human UTP15
分子名称: U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION
著者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)
登録日2021-08-17
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human UTP15
To Be Published
1VYH
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BU of 1vyh by Molmil
PAF-AH Holoenzyme: Lis1/Alfa2
分子名称: PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB ALPHA SUBUNIT, PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB BETA SUBUNIT
著者Tarricone, C, Perrina, F, Monzani, S, Massimiliano, L, Knapp, S, Tsai, L.-H, Derewenda, Z.S, Musacchio, A.
登録日2004-04-30
公開日2005-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Coupling Paf Signaling to Dynein Regulation: Structure of Lis1 in Complex with Paf-Acetylhydrolase.
Neuron, 44, 2004
4ODC
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BU of 4odc by Molmil
Crystal structure of Trematomus bernacchii hemoglobin in a partially cyanided state
分子名称: CYANIDE ION, GLYCEROL, Hemoglobin subunit alpha, ...
著者Mazzarella, L, Merlino, A, Vitagliano, L, Vergara, A.
登録日2014-01-10
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
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BU of 4qbb by Molmil
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)
分子名称: 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, ...
著者Grishkovskaya, I, Steinberger, J, Cencic, R, Juliano, M.A, Juliano, L, Skern, T.
登録日2014-05-07
公開日2014-11-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Foot-and-mouth disease virus leader proteinase: Structural insights into the mechanism of intermolecular cleavage.
Virology, 468-470C, 2014
4J5B
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BU of 4j5b by Molmil
Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
4J59
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BU of 4j59 by Molmil
Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
4J5C
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BU of 4j5c by Molmil
Human Cyclophilin D Complexed with an Inhibitor
分子名称: 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
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
4J5E
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BU of 4j5e by Molmil
Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
4J5D
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BU of 4j5d by Molmil
Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
4Q4N
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BU of 4q4n by Molmil
Structure of the Resuscitation Promoting Factor Interacting protein RipA mutated at H432
分子名称: Peptidoglycan endopeptidase RipA
著者Squeglia, F, Ruggiero, A, Romano, M, Vitagliano, L, Berisio, R.
登録日2014-04-15
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献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
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BU of 4q4t by Molmil
Structure of the Resuscitation Promoting Factor Interacting protein RipA mutated at E444
分子名称: FORMIC ACID, GLYCEROL, Peptidoglycan endopeptidase RipA
著者Squeglia, F, Ruggiero, A, Romano, M, Vitagliano, L, Berisio, R.
登録日2014-04-15
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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
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BU of 4psh by Molmil
Structure of holo ArgBP from T. maritima
分子名称: ABC-type transporter, periplasmic subunit family 3, ARGININE
著者Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L.
登録日2014-03-07
公開日2014-07-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
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BU of 4prs by Molmil
Structure of apo ArgBP from T. maritima
分子名称: ABC-type transporter, periplasmic subunit family 3
著者Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L.
登録日2014-03-06
公開日2014-07-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献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
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BU of 3qyu by Molmil
Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature
分子名称: Peptidyl-prolyl cis-trans isomerase F
著者Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F.
登録日2011-03-04
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
5AEQ
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BU of 5aeq by Molmil
Neuronal calcium sensor (NCS-1)from Rattus norvegicus
分子名称: CALCIUM ION, NEURONAL CALCIUM SENSOR 1, SODIUM ION
著者Saleem, M, Karuppiah, V, Pandalaneni, S, Burgoyne, R, Derrick, J.P, Lian, L.Y.
登録日2015-01-08
公開日2015-02-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
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Solution structure of AGR2 residues 41-175
分子名称: Anterior gradient protein 2 homolog
著者Patel, P, Clarke, C.J, Barraclough, D.L, Rudland, P.S, Barraclough, R, Lian, L.
登録日2012-01-04
公開日2013-01-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion.
J.Mol.Biol., 425, 2013
2LV7
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BU of 2lv7 by Molmil
Solution structure of Ca2+-bound CaBP7 N-terminal doman
分子名称: CALCIUM ION, Calcium-binding protein 7
著者Mccue, H.V, Patel, P, Herbert, A.P, Lian, L, Burgoyne, R.D, Haynes, L.P.
登録日2012-06-29
公開日2012-09-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of the Ca2+-bound N-terminal Domain of CaBP7: A REGULATOR OF GOLGI TRAFFICKING.
J.Biol.Chem., 287, 2012
5AER
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BU of 5aer by Molmil
Neuronal calcium sensor-1 (NCS-1)from Rattus norvegicus complex with D2 dopamine receptor peptide from Homo sapiens
分子名称: CALCIUM ION, D(2) DOPAMINE RECEPTOR, NEURONAL CALCIUM SENSOR 1, ...
著者Saleem, M, Karuppiah, V, Pandalaneni, S, Burgoyne, R, Derrick, J.P, Lian, L.Y.
登録日2015-01-08
公開日2015-02-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献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
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BU of 1ft0 by Molmil
CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI K113A MUTANT
分子名称: RHO GDP-DISSOCIATION INHIBITOR 1
著者Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S.
登録日2000-09-11
公開日2001-05-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI.
Acta Crystallogr.,Sect.D, 57, 2001
1FT3
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BU of 1ft3 by Molmil
CRYSTAL STRUCTURE OF TRUNCATED RHOGDI K141A MUTANT
分子名称: RHO GDP-DISSOCIATION INHIBITOR 1
著者Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S.
登録日2000-09-11
公開日2001-05-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI.
Acta Crystallogr.,Sect.D, 57, 2001
1FST
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BU of 1fst by Molmil
CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI TRIPLE MUTANT
分子名称: RHO GDP-DISSOCIATION INHIBITOR 1
著者Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S.
登録日2000-09-11
公開日2001-05-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI.
Acta Crystallogr.,Sect.D, 57, 2001
2LNT
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BU of 2lnt by Molmil
Solution structure of E60A mutant AGR2
分子名称: Anterior gradient protein 2 homolog
著者Patel, P, Clarke, C.J, Barraclough, D.L, Rudland, P.S, Barraclough, R, Lian, L.
登録日2012-01-04
公開日2013-01-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion.
J.Mol.Biol., 425, 2013

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