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PDB: 17822 件

3BZ7
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Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
6NIT
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BU of 6nit by Molmil
Human Argonaute2-miR-122 bound to a target RNA with four central mismatches (bu4)
分子名称: Protein argonaute-2, RNA (5'-R(P*AP*AP*CP*AP*CP*CP*AP*UP*CP*CP*AP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-12-31
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
6HQ3
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BU of 6hq3 by Molmil
Structure of EAL Enzyme Bd1971 - halfsite-occupied form
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, EAL Enzyme Bd1971
著者Lovering, A.L, Cadby, I.T.
登録日2018-09-24
公開日2019-07-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
5JZ8
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BU of 5jz8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer)
分子名称: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者McDonough, M.A, Pfeffer, I.
登録日2016-05-16
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
4H6E
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BU of 4h6e by Molmil
tRNA-guanine transglycosylase Y106F, C158V, V233G mutant apo structure
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
著者Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
登録日2012-09-19
公開日2012-11-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
6T3A
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BU of 6t3a by Molmil
Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX
分子名称: Green fluorescent protein
著者Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2019-10-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
5V0S
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BU of 5v0s by Molmil
Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis
分子名称: CALCIUM ION, Prephenate dehydrogenase, SULFATE ION
著者Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-28
公開日2017-03-08
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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
4YZL
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BU of 4yzl by Molmil
Crystal structure of the indole prenyltransferase TleC complexed with indolactam V and DMSPP
分子名称: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Tryptophan dimethylallyltransferase
著者Mori, T, Morita, H, Abe, I.
登録日2015-03-25
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
5KD5
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BU of 5kd5 by Molmil
BT_4244 metallopeptidase from Bacteroides thetaiotaomicron
分子名称: 1,2-ETHANEDIOL, Metallopeptidase, PHOSPHATE ION, ...
著者Noach, I, Boraston, A.B.
登録日2016-06-07
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4YZT
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BU of 4yzt by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose
分子名称: 1,2-ETHANEDIOL, Cellulose hydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Liberato, M.V, Popov, A, Polikarpov, I.
登録日2015-03-25
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.665 Å)
主引用文献Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
4Z2F
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BU of 4z2f by Molmil
Sclerotium Rolfsii lectin variant (SSR2) with fine carbohydrate specificity
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, lectin variant 2
著者Kantsadi, A.L, Peppa, V.I, Leonidas, D.D.
登録日2015-03-29
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Cloning, Carbohydrate Specificity and the Crystal Structure of Two Sclerotium rolfsii Lectin Variants.
Molecules, 20, 2015
5K5F
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BU of 5k5f by Molmil
NMR structure of the HLTF HIRAN domain
分子名称: Helicase-like transcription factor
著者Bezsonova, I, Neculai, D, Korzhnev, D, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2016-05-23
公開日2016-06-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the HLTF HIRAN domain
To Be Published
4IIA
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BU of 4iia by Molmil
Low resolution crystal structure of the NTF2-like domain of human G3BP1
分子名称: PHOSPHATE ION, Ras GTPase-activating protein-binding protein 1
著者Vognsen, T, Moeller, I.R, Kristensen, O.
登録日2012-12-20
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal Structures of the Human G3BP1 NTF2-Like Domain Visualize FxFG Nup Repeat Specificity.
Plos One, 8, 2013
6TI1
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BU of 6ti1 by Molmil
SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/L-Threonine/Lys230 gem diamine complex
分子名称: GLYCEROL, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine, SODIUM ION, ...
著者Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I.
登録日2019-11-21
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus
To Be Published
2ZPP
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BU of 2zpp by Molmil
Neutron crystal structure of cubic insulin at pD9
分子名称: Insulin A chain, Insulin B chain
著者Ishikawa, T, Tanaka, I, Niimura, N.
登録日2008-07-26
公開日2008-10-28
最終更新日2023-11-01
実験手法NEUTRON DIFFRACTION (2.5 Å)
主引用文献An abnormal pK(a) value of internal histidine of the insulin molecule revealed by neutron crystallographic analysis
Biochem.Biophys.Res.Commun., 376, 2008
5JZR
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BU of 5jzr by Molmil
Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles
分子名称: Coat protein
著者Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-17
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JXV
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BU of 5jxv by Molmil
Solid-state MAS NMR structure of immunoglobulin beta 1 binding domain of protein G (GB1)
分子名称: Immunoglobulin G-binding protein G
著者Andreas, L.B, Jaudzems, K, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-13
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JPW
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BU of 5jpw by Molmil
Molecular basis for protein recognition specificity of the DYNLT1/Tctex1 canonical binding groove. Characterization of the interaction with activin receptor IIB
分子名称: Dynein light chain Tctex-type 1,Cytoplasmic dynein 1 intermediate chain 2
著者Rodriguez-Crespo, I, Merino-Gracia, J, Bruix, M, Zamora-Carreras, H.
登録日2016-05-04
公開日2016-08-17
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Molecular Basis for the Protein Recognition Specificity of the Dynein Light Chain DYNLT1/Tctex1: CHARACTERIZATION OF THE INTERACTION WITH ACTIVIN RECEPTOR IIB.
J.Biol.Chem., 291, 2016
4ZET
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BU of 4zet by Molmil
Blood dendritic cell antigen 2 (BDCA-2) complexed with GalGlcNAcMan
分子名称: C-type lectin domain family 4 member C, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose
著者Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E.
登録日2015-04-20
公開日2015-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2.
J.Biol.Chem., 290, 2015
6TDC
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BU of 6tdc by Molmil
PPAR gamma ligand binding domain in complex with MRL-871
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma
著者de Vries, R.M.J.M, Leijten-van de Gevel, I.A, van Herk, K.H.N, Brunsveld, L.
登録日2019-11-08
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.328 Å)
主引用文献Binding of PPAR(gamma) to MRL871
To Be Published
6JSZ
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BU of 6jsz by Molmil
BACE2 xaperone complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
分子名称: Beta-secretase 2, CHLORIDE ION, N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide, ...
著者Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I.
登録日2019-04-08
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
6LSO
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BU of 6lso by Molmil
Crystal structure of a dimeric inhibited of peptidyl tRNA hydrolase at 1.76A resolution
分子名称: Peptidyl-tRNA hydrolase
著者Bairagya, H.R, Ahmad, M.I, Sharma, P, Singh, T.P.
登録日2020-01-17
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of a dimeric inhibited of peptidyl tRNA hydrolase at 1.76A resolution
To Be Published
5KKF
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BU of 5kkf by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263L
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-06-21
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5JNO
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BU of 5jno by Molmil
Crystal structure of the BD1-NTPR complex from BEND3 and PICH
分子名称: BEN domain-containing protein 3, DNA excision repair protein ERCC-6-like, GLYCEROL
著者Pitchai, G, Mesa, P, Hickson, I.D, Montoya, G.
登録日2016-04-30
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the BD1-NTPR complex from BEND3 and PICH
To Be Published
6TJE
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BU of 6tje by Molmil
Crystal structure of the computationally designed Cake5 protein
分子名称: Cake5
著者Mylemans, B, Laier, I, Noguchi, H, Voet, A.R.D.
登録日2019-11-26
公開日2020-05-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021

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