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PDB: 89111 results

8TWP
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BU of 8twp by Molmil
Influenza A virus (A/Aichi/2/1968(H3N2) nucleoprotein mutant - 2-7 deleted, R416A
Descriptor: Nucleoprotein
Authors:Yoon, J, Zhang, Y.M, Grant, R.A, Shoulders, M.D.
Deposit date:2023-08-21
Release date:2024-07-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The immune-evasive proline-283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure.
Sci Adv, 10, 2024
7R1Q
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BU of 7r1q by Molmil
X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au2 with lysozyme
Descriptor: DIMETHYL SULFOXIDE, GOLD ION, Lysozyme
Authors:Merlino, A, Ferraro, G.
Deposit date:2022-02-03
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with proteins and DNA model systems.
Dalton Trans, 51, 2022
8B08
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BU of 8b08 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 30 sec
Descriptor: CESIUM ION, CHLORIDE ION, SN-GLYCEROL-3-PHOSPHATE, ...
Authors: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.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B06
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BU of 8b06 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec
Descriptor: CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors: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.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
7UJG
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BU of 7ujg by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with GC-376
Descriptor: (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
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-03-30
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, COENZYME A, ...
Authors:Holden, H.M, Thoden, J.B, Dopkins, B.J, Tipton, P.A.
Deposit date:2016-06-11
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: ACETATE ION, DNA polymerase beta, MALONIC ACID
Authors:Sharma, N, Thompson, M.K, Prakash, A.
Deposit date:2022-08-09
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors:Chao, A, Cuthbert, B.J, Goulding, C.W.
Deposit date:2022-04-18
Release date:2022-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake.
Plos Pathog., 19, 2023
7U9G
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BU of 7u9g by Molmil
Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, RVA122 Fab Heavy Chain, ...
Authors: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.
Deposit date:2022-03-10
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structure of the rabies virus glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Sci Adv, 8, 2022
8B05
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BU of 8b05 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec
Descriptor: CESIUM ION, CHLORIDE ION, INDOLE, ...
Authors: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.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLUORIDE ION, MAGNESIUM ION, ...
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-15
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.161 Å)
Cite: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
Descriptor: Aromatic acid chemoreceptor, SULFATE ION
Authors:Gavira, J.A, Matilla, M.A, Fernandez, M, Krell, T.
Deposit date:2019-06-18
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
8OG3
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BU of 8og3 by Molmil
E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Day, M.A, White, S.A, Hyde, E.I, Searle, P.F.
Deposit date:2023-03-17
Release date:2023-04-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
7UF1
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BU of 7uf1 by Molmil
RibB from Vibrio cholera bound with D-Ribose-5-phosphate (D-R5P) and manganese
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, MANGANESE (II) ION, RIBOSE-5-PHOSPHATE
Authors:Kenjic, N, Meneely, K.M, Lamb, A.L.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
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
Descriptor: (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, ...
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-04-14
Release date:2023-05-17
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8OEG
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BU of 8oeg by Molmil
PDE4B bound to MAPI compound 92a
Descriptor: 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, ...
Authors:Rizzi, A, Armani, E.
Deposit date:2023-03-10
Release date:2023-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
6S45
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BU of 6s45 by Molmil
Room temperature structure of the dark state of the LOV2 domain of phototropin-2 from Arabidopsis thaliana determined with a serial crystallography approach
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Aumonier, S, Santoni, G, Gotthard, G, von Stetten, D, Leonard, G, Royant, A.
Deposit date:2019-06-26
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron.
Iucrj, 7, 2020
5KI5
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BU of 5ki5 by Molmil
Structural impact of single ribonucleotides in DNA
Descriptor: 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')
Authors:Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W.
Deposit date:2016-06-16
Release date:2016-08-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
7UZQ
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BU of 7uzq by Molmil
Local refinement of RhAG-RhCE-ANK1(AR1-5), from consensus refinement of all classes
Descriptor: Ammonium transporter Rh type A, Ankyrin-1, Blood group Rh(CE) polypeptide, ...
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-09
Release date:2022-07-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.17 Å)
Cite: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
Descriptor: 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')
Authors:Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W.
Deposit date:2016-06-16
Release date:2016-08-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors: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.
Deposit date:2022-08-29
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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
Descriptor: CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ...
Authors:Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-06-08
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
8AW8
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BU of 8aw8 by Molmil
Xylose Isomerase in 70% relative humidity environment
Descriptor: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors: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.
Deposit date:2022-08-29
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
5KDS
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BU of 5kds by Molmil
ZmpB metallopeptidase in complex with an O-glycopeptide (a2,6-sialylated core-3 pentapeptide).
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

224931

數據於2024-09-11公開中

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