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6B90
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BU of 6b90 by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5YIA
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BU of 5yia by Molmil
Crystal Structure of KNI-10343 bound Plasmepsin II (PMII) from Plasmodium falciparum
Descriptor: (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ...
Authors:Rathore, I, Mishra, V, Bhaumik, P.
Deposit date:2017-10-03
Release date:2018-07-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YIE
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BU of 5yie by Molmil
Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum
Descriptor: (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
Authors:Mishra, V, Rathore, I, Bhaumik, P.
Deposit date:2017-10-04
Release date:2018-07-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YIC
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BU of 5yic by Molmil
Crystal Structure of KNI-10333 bound Plasmepsin II (PMII) from Plasmodium falciparum
Descriptor: (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ...
Authors:Mishra, V, Rathore, I, Bhaumik, P.
Deposit date:2017-10-03
Release date:2018-07-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YIB
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BU of 5yib by Molmil
Crystal Structure of KNI-10743 bound Plasmepsin II (PMII) from Plasmodium falciparum
Descriptor: (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Rathore, I, Mishra, V, Bhaumik, P.
Deposit date:2017-10-03
Release date:2018-07-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YID
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BU of 5yid by Molmil
Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum
Descriptor: (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
Authors:Mishra, V, Rathore, I, Bhaumik, P.
Deposit date:2017-10-04
Release date:2018-07-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
6BJV
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BU of 6bjv by Molmil
CIRV p19 protein in complex with siRNA
Descriptor: RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3'), RNA silencing suppressor p19
Authors:Foss, D.V, Schirle, N, Pezacki, J.P, Macrae, I.J.
Deposit date:2017-11-07
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Structural insights into interactions between viral suppressor of RNA silencing protein p19 mutants and small RNAs.
Febs Open Bio, 9, 2019
6BJG
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BU of 6bjg by Molmil
CIRV p19 mutant T111H in complex with siRNA
Descriptor: RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3'), RNA silencing suppressor p19
Authors:Foss, D.V, Schirle, N, Pezacki, J.P, Macrae, I.J.
Deposit date:2017-11-06
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural insights into interactions between viral suppressor of RNA silencing protein p19 mutants and small RNAs.
Febs Open Bio, 9, 2019
5YKD
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BU of 5ykd by Molmil
Crystal structure of dihydropyrimidinase from Pseudomonas aeruginosa PAO1 at 2.17 angstrom resolution
Descriptor: D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Huang, Y.H, Huang, C.Y.
Deposit date:2017-10-14
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural Basis for pH-Dependent Oligomerization of Dihydropyrimidinase fromPseudomonas aeruginosaPAO1.
Bioinorg Chem Appl, 2018, 2018
5YRX
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BU of 5yrx by Molmil
Crystal structure of a hypothetical protein Rv3716c from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, Nucleoid-associated protein Rv3716c
Authors:Deka, G, Gopalan, A, Prabhavathi, M, Savithri, H.S, Raja, A, Murthy, M.R.N.
Deposit date:2017-11-10
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biophysical characterization of Rv3716c, a hypothetical protein from Mycobacterium tuberculosis
Biochem. Biophys. Res. Commun., 495, 2018
6BJH
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BU of 6bjh by Molmil
CIRV p19 mutant T111S in complex with siRNA
Descriptor: RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3'), RNA silencing suppressor p19
Authors:Foss, D.V, Schirle, N.T, MacRae, I.J, Pezacki, J.P.
Deposit date:2017-11-06
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural insights into interactions between viral suppressor of RNA silencing protein p19 mutants and small RNAs.
Febs Open Bio, 9, 2019
6CXD
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BU of 6cxd by Molmil
Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution
Descriptor: Peptidase B, SULFATE ION
Authors:Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-02
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
5BKL
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BU of 5bkl by Molmil
Crystallographic structure of the cubic crystal form of STMV (77.9 degree rotation) grown from NaCl
Descriptor: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
Authors:McPherson, A.
Deposit date:2021-03-20
Release date:2021-12-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
5C04
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BU of 5c04 by Molmil
Crystal structure of the F37H mutant AhpE from Mycobacterium tuberculosis
Descriptor: Putative peroxiredoxin MT2298
Authors:Pallo, A, Dufe, V.T, Messens, J.
Deposit date:2015-06-12
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52, 2016
3TPL
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BU of 3tpl by Molmil
APO Structure of BACE1
Descriptor: Beta-secretase 1, CHLORIDE ION, SULFATE ION
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
5WFN
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BU of 5wfn by Molmil
Revised model of leiomodin 2-mediated actin regulation (alternate refinement of PDB 4RWT)
Descriptor: Actin-5C, Leiomodin-2, MAGNESIUM ION, ...
Authors:Yurtsever, Z, Eck, M.J, Dominguez, R.
Deposit date:2017-07-12
Release date:2017-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of leiomodin 2 in complex with actin: a structural and functional reexamination
Biophys.J., 113, 2017
3T94
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BU of 3t94 by Molmil
Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase (MTAP) II complexed with 5'-deoxy-5'-methylthioadenosine and sulfate
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5'-methylthioadenosine phosphorylase (MtaP), SULFATE ION
Authors:Zhang, Y, Ealick, S.E.
Deposit date:2011-08-02
Release date:2011-08-24
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:A corrected space group for Sulfolobus sulfataricus 5'-deoxy-5'-methylthioadenosine phosphorylase II.
Acta Crystallogr.,Sect.D, 68, 2012
7RVA
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BU of 7rva by Molmil
Updated Crystal Structure of Replication Initiator Protein REPE54.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-08-18
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
6TPP
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BU of 6tpp by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis.
Descriptor: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
2XLL
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BU of 2xll by Molmil
The crystal structure of bilirubin oxidase from Myrothecium verrucaria
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIRUBIN OXIDASE, COPPER (II) ION
Authors:McNamara, T.P, Lowe, E.D, Cracknell, J.A, Blanford, C.F.
Deposit date:2010-07-21
Release date:2011-04-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Bilirubin Oxidase from Myrothecium Verrucaria: X- Ray Determination of the Complete Crystal Structure and a Rational Surface Modification for Enhanced Electrocatalytic O(2) Reduction.
Dalton Trans, 40, 2011
7U9K
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BU of 7u9k by Molmil
Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-10
Release date:2023-03-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors.
Bioorg.Med.Chem., 96, 2023
8VKC
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BU of 8vkc by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrophenol
Descriptor: Dehaloperoxidase A, GLYCEROL, P-NITROPHENOL, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VKD
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BU of 8vkd by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrocatechol
Descriptor: 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
3SOI
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BU of 3soi by Molmil
Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution
Descriptor: Beta-lactamase, CITRIC ACID
Authors:Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R.
Deposit date:2011-06-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase.
Protein Sci., 21, 2012
6OO8
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BU of 6oo8 by Molmil
Dehaloperoxidase B in complex with substrate pentachlorophenol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2020-04-29
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019

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数据于2025-07-02公开中

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