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PDB: 89111 件

8TWP
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Influenza A virus (A/Aichi/2/1968(H3N2) nucleoprotein mutant - 2-7 deleted, R416A
分子名称: Nucleoprotein
著者Yoon, J, Zhang, Y.M, Grant, R.A, Shoulders, M.D.
登録日2023-08-21
公開日2024-07-03
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The immune-evasive proline-283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure.
Sci Adv, 10, 2024
7KCC
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Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270
分子名称: 1,2-ETHANEDIOL, 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, ...
著者Padyana, A, Jin, L.
登録日2020-10-05
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
8B08
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TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 30 sec
分子名称: CESIUM ION, CHLORIDE ION, SN-GLYCEROL-3-PHOSPHATE, ...
著者Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
登録日2022-09-07
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B06
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TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec
分子名称: CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
登録日2022-09-07
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
7UJG
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Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with GC-376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-03-30
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
5KF2
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BU of 5kf2 by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, apo form, pH 8
分子名称: 1,2-ETHANEDIOL, ACETYL COENZYME *A, COENZYME A, ...
著者Holden, H.M, Thoden, J.B, Dopkins, B.J, Tipton, P.A.
登録日2016-06-11
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
8E11
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BU of 8e11 by Molmil
Structure of mouse DNA polymerase Beta (PolB) mutant
分子名称: ACETATE ION, DNA polymerase beta, MALONIC ACID
著者Sharma, N, Thompson, M.K, Prakash, A.
登録日2022-08-09
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pol beta /XRCC1 heterodimerization dictates DNA damage recognition and basal Pol beta protein levels without interfering with mouse viability or fertility.
DNA Repair (Amst), 123, 2023
7UQ0
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BU of 7uq0 by Molmil
Putative periplasmic iron siderophore binding protein FecB (Rv3044) from Mycobacterium tuberculosis
分子名称: CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ...
著者Chao, A, Cuthbert, B.J, Goulding, C.W.
登録日2022-04-18
公開日2022-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake.
Plos Pathog., 19, 2023
8B05
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BU of 8b05 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec
分子名称: CESIUM ION, CHLORIDE ION, INDOLE, ...
著者Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
登録日2022-09-07
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
7U9G
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Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ...
著者Callaway, H.M, Zyla, D, Larrous, F, Dias de Melo, G, Hastie, K.M, Avalos, R.D, Agarwal, A, Bouhry, H, Corti, D, Saphire, E.O.
登録日2022-03-10
公開日2022-07-20
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Sci Adv, 8, 2022
5XB2
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BU of 5xb2 by Molmil
ADP-Mg-F-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLUORIDE ION, MAGNESIUM ION, ...
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2017-03-15
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.161 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
6S1A
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BU of 6s1a by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP
分子名称: Aromatic acid chemoreceptor, SULFATE ION
著者Gavira, J.A, Matilla, M.A, Fernandez, M, Krell, T.
登録日2019-06-18
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
7UF1
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BU of 7uf1 by Molmil
RibB from Vibrio cholera bound with D-Ribose-5-phosphate (D-R5P) and manganese
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, MANGANESE (II) ION, RIBOSE-5-PHOSPHATE
著者Kenjic, N, Meneely, K.M, Lamb, A.L.
登録日2022-03-22
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
8OG3
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BU of 8og3 by Molmil
E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ...
著者Day, M.A, White, S.A, Hyde, E.I, Searle, P.F.
登録日2023-03-17
公開日2023-04-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
8OEG
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BU of 8oeg by Molmil
PDE4B bound to MAPI compound 92a
分子名称: MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ...
著者Rizzi, A, Armani, E.
登録日2023-03-10
公開日2023-04-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
8SI6
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BU of 8si6 by Molmil
Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in closed state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
5KI5
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BU of 5ki5 by Molmil
Structural impact of single ribonucleotides in DNA
分子名称: DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*CP*CP*TP*G)-3')
著者Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W.
登録日2016-06-16
公開日2016-08-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Impact of Single Ribonucleotide Residues in DNA.
Chembiochem, 17, 2016
5X4Y
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BU of 5x4y by Molmil
Mutant human thymidylate synthase M190K crystallized in a sulfate-containing condition
分子名称: SULFATE ION, Thymidylate synthase
著者Chen, D, Jansson, A, Larsson, A, Nordlund, P.
登録日2017-02-14
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
6S45
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Room temperature structure of the dark state of the LOV2 domain of phototropin-2 from Arabidopsis thaliana determined with a serial crystallography approach
分子名称: FLAVIN MONONUCLEOTIDE, Phototropin-2
著者Aumonier, S, Santoni, G, Gotthard, G, von Stetten, D, Leonard, G, Royant, A.
登録日2019-06-26
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron.
Iucrj, 7, 2020
7UZQ
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BU of 7uzq by Molmil
Local refinement of RhAG-RhCE-ANK1(AR1-5), from consensus refinement of all classes
分子名称: Ammonium transporter Rh type A, Ankyrin-1, Blood group Rh(CE) polypeptide, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-09
公開日2022-07-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.17 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
5KIE
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BU of 5kie by Molmil
Structural impact of single ribonucleotides in DNA
分子名称: DNA (5'-D(*GP*AP*GP*CP*TP*CP*CP*AP*T)-3'), DNA/RNA (5'-D(*AP*TP*GP*GP*A)-R(P*G)-D(P*CP*TP*C)-3')
著者Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W.
登録日2016-06-16
公開日2016-08-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Impact of Single Ribonucleotide Residues in DNA.
Chembiochem, 17, 2016
8AW9
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BU of 8aw9 by Molmil
Xylose Isomerase in 75% relative humidity environment
分子名称: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
登録日2022-08-29
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
5KDF
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BU of 5kdf by Molmil
Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate
分子名称: CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ...
著者Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2016-06-08
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
8AW8
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Xylose Isomerase in 70% relative humidity environment
分子名称: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
登録日2022-08-29
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8SI5
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Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in open state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (2.17 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023

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件を2024-09-11に公開中

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