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5JOB
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BU of 5job by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B.
登録日2016-05-02
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature
To be Published
6ESL
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BU of 6esl by Molmil
Crystal structure of the Legionella pneumoppila LapA
分子名称: Bacterial leucyl aminopeptidase, ZINC ION
著者Richardson, K, Garnett, J.A.
登録日2017-10-22
公開日2018-04-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Type II Secretion-Dependent Aminopeptidase LapA and Acyltransferase PlaC Are Redundant for Nutrient Acquisition duringLegionella pneumophilaIntracellular Infection of Amoebas.
MBio, 9, 2018
1XOC
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BU of 1xoc by Molmil
The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
分子名称: Nonapeptide VDSKNTSSW, Oligopeptide-binding protein appA, ZINC ION
著者Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wright, L, Vagin, A.A, Wilkinson, A.J.
登録日2004-10-06
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
J.Mol.Biol., 345, 2005
6BYR
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BU of 6byr by Molmil
Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha chimera, MAGNESIUM ION, ...
著者Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P.
登録日2017-12-21
公開日2019-04-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.661 Å)
主引用文献Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha.
Structure, 27, 2019
1FDH
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BU of 1fdh by Molmil
STRUCTURE OF HUMAN FOETAL DEOXYHAEMOGLOBIN
分子名称: HEMOGLOBIN F (DEOXY) (ALPHA CHAIN), HEMOGLOBIN F (DEOXY) (GAMMA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
著者Frierjunior, J.A.
登録日1976-08-18
公開日1976-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of human foetal deoxyhaemoglobin.
J.Mol.Biol., 112, 1977
1FKJ
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BU of 1fkj by Molmil
ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
1FKL
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BU of 1fkl by Molmil
ATOMIC STRUCTURE OF FKBP12-RAPAYMYCIN, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX
分子名称: FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
5JXK
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BU of 5jxk by Molmil
Crystal structure of Porphyromonas endodontalis DPP11
分子名称: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
著者Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
登録日2016-05-13
公開日2017-06-14
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5JY8
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BU of 5jy8 by Molmil
An iron-bound structure of the isochorismate synthase EntC
分子名称: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, FE (III) ION, Isochorismate synthase EntC
著者Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L.
登録日2016-05-13
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.942 Å)
主引用文献An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
5K4C
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BU of 5k4c by Molmil
Structure of eukaryotic translation initiation factor 3 subunit D (eIF3d) cap binding domain from Nasonia vitripennis, Crystal form 2
分子名称: Eukaryotic translation initiation factor 3 subunit D, GLYCEROL
著者Kranzusch, P.J, Lee, A.S.Y, Doudna, J.A, Cate, J.H.D.
登録日2016-05-20
公開日2016-07-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献eIF3d is an mRNA cap-binding protein that is required for specialized translation initiation.
Nature, 536, 2016
6BWZ
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BU of 6bwz by Molmil
SYSGYS from low-complexity domain of FUS, residues 37-42
分子名称: SYSGYS peptide from low-complexity domain of FUS
著者Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Tamir, G, Eisenberg, D.S.
登録日2017-12-15
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
5KB2
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BU of 5kb2 by Molmil
Crystal Structure of a Tris-thiolate Zn(II)S3O Complex in a de Novo Three-stranded Coiled Coil Peptide
分子名称: ZINC ION, Zn(II)(H2O)(GRAND Coil Ser-L12AL16C)3-
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
5KCW
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BU of 5kcw by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative
分子名称: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-06-07
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KD9
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BU of 5kd9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative
分子名称: (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-06-07
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KB1
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BU of 5kb1 by Molmil
Crystal Structure of a Tris-thiolate Hg(II) Complex in a de Novo Three Stranded Coiled Coil Peptide
分子名称: CHLORIDE ION, Hg(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, MERCURY (II) ION, ...
著者Ruckcthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
5JY0
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BU of 5jy0 by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in complex with substrate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Asp/Glu-specific dipeptidyl-peptidase, LEU-ASP-VAL
著者Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
登録日2016-05-13
公開日2017-06-14
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
6BXX
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BU of 6bxx by Molmil
GYNGFG from low-complexity domain of hnRNPA1, residues 243-248
分子名称: hnRNPA1
著者Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S.
登録日2017-12-19
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
6F58
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BU of 6f58 by Molmil
Crystal structure of human Brachyury (T) in complex with DNA
分子名称: Brachyury protein, DNA (5'-D(*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP*AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*TP*T)-3'), SODIUM ION
著者Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-12-01
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献Crystal structure of human Brachyury (T) in complex with DNA
To Be Published
6FD8
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BU of 6fd8 by Molmil
Gamma-s crystallin dimer
分子名称: Beta-crystallin S
著者Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A.
登録日2017-12-22
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation.
J. Mol. Biol., 431, 2019
5K20
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BU of 5k20 by Molmil
Caspase-7 S239E Phosphomimetic
分子名称: Caspase-7 large subunit, Caspase-7 small subunit, FORMIC ACID
著者Eron, S.J, Hardy, J.A.
登録日2016-05-18
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PAK2 Phosphorylation Inhibits Caspase-7 by Two Divergent Mechanisms: Slowing Activation and Blocking Substrate Binding
To Be Published
6C4G
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BU of 6c4g by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F.
登録日2018-01-11
公開日2018-06-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
5K4B
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BU of 5k4b by Molmil
Structure of eukaryotic translation initiation factor 3 subunit D (eIF3d) cap binding domain from Nasonia vitripennis, Crystal form 1
分子名称: CHLORIDE ION, Eukaryotic translation initiation factor 3 subunit D
著者Kranzusch, P.J, Lee, A.S.Y, Doudna, J.A, Cate, J.H.D.
登録日2016-05-20
公開日2016-07-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献eIF3d is an mRNA cap-binding protein that is required for specialized translation initiation.
Nature, 536, 2016
6C7L
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BU of 6c7l by Molmil
Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a tetragonal crystal form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ...
著者Jones, J.A, Larson, S.B, McPherson, A.
登録日2018-01-22
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6C7Q
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BU of 6c7q by Molmil
BRD4 BD2 in complex with compound CE277
分子名称: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2018-01-23
公開日2018-08-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
5K92
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Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide
分子名称: Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-05-31
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016

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