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1V1I
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BU of 1v1i by Molmil
Adenovirus fibre shaft sequence N-terminally fused to the bacteriophage T4 fibritin foldon trimerisation motif with a long linker
Descriptor: FIBRITIN, FIBER PROTEIN
Authors:Papanikolopoulou, K, Teixeira, S, Belrhali, H, Forsyth, V.T, Mitraki, A, van Raaij, M.J.
Deposit date:2004-04-16
Release date:2004-07-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Adenovirus Fibre Shaft Sequences Fold Into the Native Triple Beta-Spiral Fold When N-Terminally Fused to the Bacteriophage T4 Fibritin Foldon Trimerisation Motif
J.Mol.Biol., 342, 2004
1V1H
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BU of 1v1h by Molmil
Adenovirus fibre shaft sequence N-terminally fused to the bacteriophage T4 fibritin foldon trimerisation motif with a short linker
Descriptor: FIBRITIN, FIBER PROTEIN
Authors:Papanikolopoulou, K, Teixeira, S, Belrhali, H, Forsyth, V.T, Mitraki, A, van Raaij, M.J.
Deposit date:2004-04-16
Release date:2004-07-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Adenovirus Fibre Shaft Sequences Fold Into the Native Triple Beta-Spiral Fold When N-Terminally Fused to the Bacteriophage T4 Fibritin Foldon Trimerisation Motif
J.Mol.Biol., 342, 2004
5T3E
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BU of 5t3e by Molmil
Crystal structure of a nonribosomal peptide synthetase heterocyclization domain.
Descriptor: Bacillamide synthetase heterocyclization domain, SULFATE ION
Authors:Bloudoff, K, Schmeing, T.M.
Deposit date:2016-08-25
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural and mutational analysis of the nonribosomal peptide synthetase heterocyclization domain provides insight into catalysis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5DUA
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BU of 5dua by Molmil
First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 3a
Descriptor: CDA peptide synthetase I, CHLORIDE ION, N-pentyl-L-alaninamide
Authors:Bloudoff, K, Alonzo, D.A, Schmeing, T.M.
Deposit date:2015-09-18
Release date:2016-03-30
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases.
Cell Chem Biol, 23, 2016
5DU9
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BU of 5du9 by Molmil
First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 2a
Descriptor: (2S)-2-amino-N-butyl-propanamide, CDA peptide synthetase I, CHLORIDE ION, ...
Authors:Bloudoff, K, Alonzo, D.A, Schmeing, T.M.
Deposit date:2015-09-18
Release date:2016-03-30
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases.
Cell Chem Biol, 23, 2016
4JN5
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BU of 4jn5 by Molmil
Crystal structures of the first condensation domain of the CDA synthetase
Descriptor: CDA peptide synthetase I
Authors:Bloudoff, K, Schmeing, T.M.
Deposit date:2013-03-14
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal Structures of the First Condensation Domain of CDA Synthetase Suggest Conformational Changes during the Synthetic Cycle of Nonribosomal Peptide Synthetases.
J.Mol.Biol., 425, 2013
4JN3
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BU of 4jn3 by Molmil
Crystal structures of the first condensation domain of the CDA synthetase
Descriptor: CDA peptide synthetase I
Authors:Bloudoff, K, Schmeing, T.M.
Deposit date:2013-03-14
Release date:2013-06-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal Structures of the First Condensation Domain of CDA Synthetase Suggest Conformational Changes during the Synthetic Cycle of Nonribosomal Peptide Synthetases.
J.Mol.Biol., 425, 2013
5JI0
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BU of 5ji0 by Molmil
PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
Descriptor: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
Authors:Bloudoff, K, Larsen, N.A.
Deposit date:2016-04-21
Release date:2017-04-26
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
To Be Published
3FEC
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BU of 3fec by Molmil
Crystal structure of human Glutamate Carboxypeptidase III (GCPIII/NAALADase II), pseudo-unliganded
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
Authors:Barinka, C, Lubkowski, J, Hlouchova, K.
Deposit date:2008-11-28
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
3FEE
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BU of 3fee by Molmil
The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lubkowski, J, Barinka, C, Hlouchova, K.
Deposit date:2008-11-28
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
3FED
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BU of 3fed by Molmil
The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with a transition state analog of Glu-Glu
Descriptor: (2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lubkowski, J, Barinka, C, Hlouchova, K.
Deposit date:2008-11-28
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
6P8F
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BU of 6p8f by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6P8H
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BU of 6p8h by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P21
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, G1/S-specific cyclin-D1
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6P8G
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BU of 6p8g by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6P8E
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BU of 6p8e by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
Descriptor: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1, ...
Authors:Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
5HZE
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BU of 5hze by Molmil
Mek1 adopts DFG-out conformation when bound to an analog of E6201.
Descriptor: (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION
Authors:Larsen, N.A, Bloudoff, K.
Deposit date:2016-02-02
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mek1 adopts DFG-out conformation when bound to an analog of E6201.
To Be Published
7KC5
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BU of 7kc5 by Molmil
X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K
Descriptor: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7KC3
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BU of 7kc3 by Molmil
X-ray structure of Lfa-1 I domain collected at 273 K
Descriptor: Integrin alpha-L, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7KC6
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BU of 7kc6 by Molmil
X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K
Descriptor: Integrin alpha-L, LOVASTATIN, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7LY6
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BU of 7ly6 by Molmil
Structure of a trans-acting NRPS oxidase, BmdC, involved in bacillamide biosynthesis
Descriptor: BmdC, NRPS oxidase, FLAVIN MONONUCLEOTIDE, ...
Authors:Fortinez, C.M, Bloudoff, K, Schmeing, T.M.
Deposit date:2021-03-05
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
3FF3
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BU of 3ff3 by Molmil
The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with L-glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-12-01
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
2H5L
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BU of 2h5l by Molmil
S-Adenosylhomocysteine hydrolase containing NAD and 3-deaza-D-eritadenine
Descriptor: (2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yamada, T, Komoto, J, Takusagawa, F.
Deposit date:2006-05-26
Release date:2007-04-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and function of eritadenine and its 3-deaza analogues: Potent inhibitors of S-adenosylhomocysteine hydrolase and hypocholesterolemic agents.
Biochem.Pharm., 73, 2007
1HBY
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BU of 1hby by Molmil
Binding of Phosphate and Pyrophosphate ions at the active site of human angiogenin as revealed by X-ray Crystallography
Descriptor: ANGIOGENIN, PHOSPHATE ION
Authors:Leonidas, D.D, Chavali, G.B, Jardine, A.S, Li, S, Shapiro, R, Acharya, K.R.
Deposit date:2001-04-21
Release date:2001-08-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of Phosphate and Pyrophosphate Ions at the Active Site of Human Angiogenin as Revealed by X-Ray Crystallography
Protein Sci., 10, 2001
1CJP
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BU of 1cjp by Molmil
CONCANAVALIN A COMPLEX WITH 4'-METHYLUMBELLIFERYL-ALPHA-D-GLUCOPYRANOSIDE
Descriptor: 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE, CALCIUM ION, CONCANAVALIN A, ...
Authors:Hamodrakas, S.J, Kanellopoulos, P.N, Tucker, P.A.
Deposit date:1996-10-03
Release date:1997-10-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The crystal structure of the complex of concanavalin A with 4'-methylumbelliferyl-alpha-D-glucopyranoside.
J.Struct.Biol., 118, 1997
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015

 

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