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1LCC
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STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
分子名称: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ...
著者Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R.
登録日1993-03-25
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
1LCD
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BU of 1lcd by Molmil
STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
分子名称: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ...
著者Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R.
登録日1993-03-25
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
8ST5
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BU of 8st5 by Molmil
Streptococcus gordonii str. Challis Hsa bound to Neu5Ac
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, SODIUM ION, Streptococcal hemagglutinin
著者Morrison, K.M.A, Iverson, T.M.
登録日2023-05-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hsa Siglec +Unique Domains bound to Neu5Ac alpha2, 3 Gal
To Be Published
7Q52
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BU of 7q52 by Molmil
Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W
分子名称: 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ...
著者Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M.
登録日2021-11-02
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
J.Med.Chem., 65, 2022
5JDU
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BU of 5jdu by Molmil
Crystal structure for human thrombin mutant D189A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Pozzi, N, Chen, Z, Di Cera, E.
登録日2016-04-17
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
8ST6
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Hsa Siglec + Unique domains bound to Neu5Gc alpha2,3 Gal beta OMe
分子名称: SODIUM ION, Streptococcal hemagglutinin, methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside
著者Stubbs, H.E, Iverson, T.M.
登録日2023-05-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hsa Siglec + Unique domains bound to Neu5Gc alpha2,3 Gal beta OMe
To Be Published
8AJ4
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BU of 8aj4 by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A')
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], Lysozyme, ...
著者Paolillo, M, Merlino, A, Ferraro, G.
登録日2022-07-27
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
8AJ3
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X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8,8,8-tetrakis($l^{1}-oxidanyl)-2-methyl-3,7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1,5-diene, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], ...
著者Paolillo, M, Merlino, A, Ferraro, G.
登録日2022-07-27
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
8AJ5
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X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure B)
分子名称: ACETATE ION, Lysozyme, NITRATE ION, ...
著者Paolillo, M, Merlino, A, Ferraro, G.
登録日2022-07-27
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
8AMI
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BU of 8ami by Molmil
Crystal structure of AUGUGGCAU duplex with barium ions (model 2)
分子名称: BARIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3'), SODIUM ION
著者Kiliszek, A, Rypniewski, W.
登録日2022-08-03
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
7QDQ
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BU of 7qdq by Molmil
Crystal Structure of HDM2 in complex with Caylin-1
分子名称: CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ...
著者Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J.
登録日2021-11-29
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation
J Magn Reson Open, 10-11, 2022
7QE4
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BU of 7qe4 by Molmil
B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, ...
著者Notova, S, Varrot, A.
登録日2021-12-01
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3.
Commun Biol, 5, 2022
8B2J
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BU of 8b2j by Molmil
Crystal structure of human STING in complex with ADU-S100
分子名称: (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, CALCIUM ION, SODIUM ION, ...
著者Nawrotek, A, Vuillard, L, Miallau, L.
登録日2022-09-14
公開日2022-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Crystal structure of human STING in complex with ADU-S100
To Be Published
7QSF
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BU of 7qsf by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-12 (G206C, R207T, D210A, S211A)
分子名称: CHLORIDE ION, Isoaspartyl peptidase, Isoaspartyl peptidase subunit beta, ...
著者Loch, J.I, Kadziolka, K, Jaskolski, M.
登録日2022-01-13
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
7QTC
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BU of 7qtc by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-3 (G206H, R207T, D210P, S211Q)
分子名称: Isoaspartyl peptidase, Isoaspartyl peptidase subunit beta, SODIUM ION
著者Loch, J.I, Kadziolka, K, Jaskolski, M.
登録日2022-01-14
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
1M0P
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BU of 1m0p by Molmil
Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-phenylethanephosphonate
分子名称: (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ...
著者Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D.
登録日2002-06-13
公開日2002-10-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
7QVR
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BU of 7qvr by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-37 (G206S, R207T, D210S)
分子名称: Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ...
著者Loch, J.I, Kadziolka, K, Jaskolski, M.
登録日2022-01-23
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
7QY6
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BU of 7qy6 by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, wild type (WT EcAIII)
分子名称: Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ...
著者Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M.
登録日2022-01-27
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
7QOA
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BU of 7qoa by Molmil
Structure of CodB, a cytosine transporter in an outward-facing conformation
分子名称: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ...
著者Hatton, C.E, Cameron, A.D.
登録日2021-12-23
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
7QQ8
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Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-8 (G206Y, R207Q, D210P, S211T)
分子名称: Beta-aspartyl-peptidase, CHLORIDE ION, SODIUM ION
著者Loch, J.I, Kadziolka, K, Jaskolski, M.
登録日2022-01-06
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
8PWK
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BU of 8pwk by Molmil
human HINT1 in complex with compound AT8003
分子名称: Histidine triad nucleotide-binding protein 1, SODIUM ION, [(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
著者Zimberger, C, Canard, B, Ferron, F.
登録日2023-07-20
公開日2024-07-31
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
7QH0
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Apo structure of the Leishmania mexicana triose-phosphate isomerase (LmTIM), N11A-E65Q variant, open conformation
分子名称: CHLORIDE ION, SODIUM ION, Triosephosphate isomerase
著者Cordara, G, Wierenga, R.K.
登録日2021-12-10
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Role of Asn11 in Catalysis by Triosephosphate Isomerase.
Biochemistry, 62, 2023
6BE1
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BU of 6be1 by Molmil
Cryo-EM structure of serotonin receptor
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Basak, S, Chakrapani, S.
登録日2017-10-24
公開日2018-02-07
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.31 Å)
主引用文献Cryo-EM structure of 5-HT
Nat Commun, 9, 2018
7QHP
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Structure of I-Ag7 with a bound hybrid insulin peptide
分子名称: GLYCEROL, H-2 class II histocompatibility antigen, A-D alpha chain, ...
著者Lopez-Sagaseta, J, Erausquin, E.
登録日2021-12-13
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural plasticity in I-A g7 links autoreactivity to hybrid insulin peptides in type I diabetes.
Front Immunol, 13, 2022
8TA1
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907
分子名称: 3-(2-{3-[(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, ACETATE ION, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-06-26
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907
To be published

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件を2024-10-16に公開中

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