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4KYD
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BU of 4kyd by Molmil
Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP.
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Maltose-binding periplasmic protein, Phosphoprotein, ...
Authors:Yegambaram, K, Bulloch, E.M.M, Kingston, R.L.
Deposit date:2013-05-28
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
5EOC
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BU of 5eoc by Molmil
Crystal structure of Fab C2 in complex with a Cyclic variant of Hepatitis C Virus E2 epitope I
Descriptor: ALA-CYS-GLN-LEU-ILE-ASN-THR-ASN-GLY-SER-TRP-HIS-ILE-CYS, Fab fragment (Heavy chain), Fab fragment (Light chain)
Authors:Berisio, R, Ruggiero, A, Sandomenico, A, Patel, A.H, Ruvo, M, Vitagliano, L.
Deposit date:2015-11-10
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Generation and Characterization of Monoclonal Antibodies against a Cyclic Variant of Hepatitis C Virus E2 Epitope 412-422.
J.Virol., 90, 2016
4M62
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BU of 4m62 by Molmil
Ontogeny of recognition specificity and functionality for the anti-HIV neutralizing antibody 4E10
Descriptor: GEP2 FV heavy chain, GEP2 FV light chain, SULFATE ION, ...
Authors:Finton, K.A.K.
Deposit date:2013-08-08
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
6P1O
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BU of 6p1o by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated dAMP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
3NHB
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BU of 3nhb by Molmil
Nucleotide Binding Domain of Human ABCB6 (ADP bound structure)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 6, mitochondrial, ...
Authors:Haffke, M, Menzel, A, Carius, Y, Jahn, D, Heinz, D.W.
Deposit date:2010-06-14
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides.
Acta Crystallogr.,Sect.D, 66, 2010
5F24
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BU of 5f24 by Molmil
Crystal structure of dual specific IMPase/NADP phosphatase bound with D-inositol-1-phosphate
Descriptor: CALCIUM ION, CHLORIDE ION, D-MYO-INOSITOL-1-PHOSPHATE, ...
Authors:Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
Deposit date:2015-12-01
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
4M47
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BU of 4m47 by Molmil
structure of human DNA polymerase complexed with 8-BrG in the template base paired with incoming non-hydrolyzable GTP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA polymerase beta, MAGNESIUM ION, ...
Authors:Koag, M.C, Min, K, Monzingo, A.F, Lee, S.
Deposit date:2013-08-06
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
5EYH
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BU of 5eyh by Molmil
Crystal Structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ at pH 7.0
Descriptor: CALCIUM ION, GLYCEROL, Inositol monophosphatase, ...
Authors:Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
Deposit date:2015-11-25
Release date:2015-12-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
6PAC
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BU of 6pac by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 5.6
Descriptor: ASPARTIC ACID, IMIDAZOLE, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
6PJX
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BU of 6pjx by Molmil
Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (CaM)
Descriptor: CALCIUM ION, Calmodulin, G protein-coupled receptor kinase 5, ...
Authors:Bhardwaj, A, Komolov, K.E, Sulon, S, Benovic, J.L.
Deposit date:2019-06-28
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of a GRK5-Calmodulin Complex Reveals Molecular Mechanism of GRK Activation and Substrate Targeting.
Mol.Cell, 81, 2021
5EYG
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BU of 5eyg by Molmil
Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
Deposit date:2015-11-25
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
5EW1
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BU of 5ew1 by Molmil
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ...
Authors:Pica, A, Russo Krauss, I, Parente, V, Sica, F.
Deposit date:2015-11-20
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
5EW2
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BU of 5ew2 by Molmil
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ...
Authors:Pica, A, Russo Krauss, I, Parente, V, Sica, F.
Deposit date:2015-11-20
Release date:2016-11-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
3NH9
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BU of 3nh9 by Molmil
Nucleotide Binding Domain of Human ABCB6 (ATP bound structure)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family B member 6, mitochondrial, ...
Authors:Haffke, M, Menzel, A, Carius, Y, Jahn, D, Heinz, D.W.
Deposit date:2010-06-14
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides.
Acta Crystallogr.,Sect.D, 66, 2010
4LYW
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BU of 4lyw by Molmil
Crystal Structure of BRD4(1) bound to inhibitor XD14
Descriptor: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Gerhardt, S, Einsle, O.
Deposit date:2013-07-31
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4LZR
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BU of 4lzr by Molmil
Crystal Structure of BRD4(1) bound to Colchicine
Descriptor: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Authors:Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M.
Deposit date:2013-08-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4M2Y
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BU of 4m2y by Molmil
Structure of human DNA polymerase beta complexed with 8-BrG as the template base in a 1-nucleotide gapped DNA
Descriptor: DNA polymerase beta, SODIUM ION, down-primer, ...
Authors:Koag, M.C, Min, K, Monzingo, A.F, Lee, S.
Deposit date:2013-08-05
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
3NH7
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BU of 3nh7 by Molmil
Crystal structure of the neutralizing Fab fragment AbD1556 bound to the BMP type I receptor IA
Descriptor: Antibody fragment Fab AbD1556, heavy chain, light chain, ...
Authors:Mueller, T.D, Harth, S, Sebald, W.
Deposit date:2010-06-14
Release date:2010-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A selection fit mechanism in BMP receptor IA as a possible source for BMP ligand-receptor promiscuity
Plos One, 5, 2010
6PAB
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BU of 6pab by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 7.0
Descriptor: ASPARTIC ACID, CITRIC ACID, IMIDAZOLE, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
6PA6
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BU of 6pa6 by Molmil
ECAII(T89V,K162T) MUTANT IN COMPLEX WITH L-ASN AT PH 8.3 in space group C2
Descriptor: ASPARAGINE, IMIDAZOLE, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
6PAA
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BU of 6paa by Molmil
E. coli L-asparaginase II mutant (T12V) in complex with L-Asp at pH 5.5
Descriptor: ASPARTIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
5FDL
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BU of 5fdl by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
Descriptor: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
Authors:Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2015-12-16
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
3O2L
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BU of 3o2l by Molmil
Crystal Structure of an Inactive Kemp Elimination Design HG-1
Descriptor: Endo-1,4-beta-xylanase
Authors:Thomas, L.M, Privett, H.K, Mayo, S.L.
Deposit date:2010-07-22
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iterative approach to computational enzyme design.
Proc.Natl.Acad.Sci.USA, 109, 2012
5FTS
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BU of 5fts by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-14
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
2ZYQ
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BU of 2zyq by Molmil
Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis
Descriptor: D(-)-TARTARIC ACID, FE (II) ION, PROBABLE BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE BPHC
Authors:D'Angelo, I, Yam, K.C, Eltis, L.D, Strynadka, N.
Deposit date:2009-01-28
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies of a ring-cleaving dioxygenase illuminate the role of cholesterol metabolism in the pathogenesis of Mycobacterium tuberculosis.
Plos Pathog., 5, 2009

223790

數據於2024-08-14公開中

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