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PDB: 45910 results

2RBN
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BU of 2rbn by Molmil
N-phenylglycinonitrile in complex with T4 lysozyme L99A/M102Q
Descriptor: (phenylamino)acetonitrile, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBZ
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BU of 2rbz by Molmil
Cytochrome C Peroxidase W191G in complex 3-methoxypyridine
Descriptor: 3-methoxypyridine, Cytochrome C Peroxidase, PHOSPHATE ION, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
1SMX
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BU of 1smx by Molmil
Crystal structure of the S1 domain of RNase E from E. coli (native)
Descriptor: Ribonuclease E
Authors:Schubert, M, Edge, R.E, Lario, P, Cook, M.A, Strynadka, N.C.J, Mackie, G.A, McIntosh, L.P.
Deposit date:2004-03-09
Release date:2004-08-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of the RNase E S1 domain and identification of its oligonucleotide-binding and dimerization interfaces.
J.Mol.Biol., 341, 2004
2MU6
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BU of 2mu6 by Molmil
3D structure determination of STARP peptides implicated in P. falciparum Invasion of hepatic cells
Descriptor: STARP antigen
Authors:Bermudez, A, Alba, M.P, Vanegas, M, Patarroyo, M.E.
Deposit date:2014-09-04
Release date:2014-12-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:3D structure determination of STARP peptides implicated in P. falciparum invasion of hepatic cells.
Vaccine, 28, 2010
2HGF
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BU of 2hgf by Molmil
HAIRPIN LOOP CONTAINING DOMAIN OF HEPATOCYTE GROWTH FACTOR, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: HEPATOCYTE GROWTH FACTOR
Authors:Zhou, H, Mazzulla, M.J, Kaufman, J.D, Stahl, S.J, Wingfield, P.T, Rubin, J.S, Bottaro, D.P, Byrd, R.A.
Deposit date:1997-12-18
Release date:1998-06-24
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal domain of hepatocyte growth factor reveals a potential heparin-binding site.
Structure, 6, 1998
7DJR
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BU of 7djr by Molmil
Crystal structure of SARS-CoV-2 main protease (no ligand)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Deetanya, P, Wangkanont, K.
Deposit date:2020-11-21
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification.
Comput Struct Biotechnol J, 19, 2021
6EDS
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BU of 6eds by Molmil
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63
Descriptor: 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R, Welsh, A.J.
Deposit date:2018-08-10
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.18071723 Å)
Cite:Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme.
Nat.Chem.Biol., 15, 2019
3IVF
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BU of 3ivf by Molmil
Crystal structure of the talin head FERM domain
Descriptor: Talin-1
Authors:Elliott, P.R, Goult, B.T, Bate, N, Grossmann, J.G, Roberts, G.C.K, Critchley, D.R, Barsukov, I.L.
Deposit date:2009-09-01
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The Structure of the talin head reveals a novel extended conformation of the FERM domain
Structure, 18, 2010
3IRO
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BU of 3iro by Molmil
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase complexed with NADPH and Q-8 antifolate
Descriptor: 5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine, ACETATE ION, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2009-08-24
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
8CGB
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BU of 8cgb by Molmil
Monkeypox virus VP39 in complex with SAH
Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Silhan, J, Klima, M, Skvara, P, Boura, E.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
2ROU
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BU of 2rou by Molmil
Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat
Descriptor: (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3')
Authors:Wang, Y, Kroth, H, Yagi, H, Sayer, J.M, Kumar, S, Jerina, D.M, Stone, M.P.
Deposit date:2008-04-20
Release date:2009-03-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat
Chem.Res.Toxicol., 21, 2008
1SQG
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BU of 1sqg by Molmil
The crystal structure of the E. coli Fmu apoenzyme at 1.65 A resolution
Descriptor: SUN protein
Authors:Foster, P.G, Nunes, C.R, Greene, P, Moustakas, D, Stroud, R.M.
Deposit date:2004-03-18
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The First Structure of an RNA m5C Methyltransferase, Fmu, Provides Insight into Catalytic Mechanism and Specific Binding of RNA Substrate
Structure, 11, 2003
3MTC
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BU of 3mtc by Molmil
Crystal Structure of INPP5B in complex with phosphatidylinositol 4-phosphate
Descriptor: (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, CHLORIDE ION, GLYCEROL, ...
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
7VCK
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BU of 7vck by Molmil
NMR solution structures of a hairpin formed by GGCCTG repeats
Descriptor: DNA (5'-D(*GP*GP*CP*CP*TP*GP*GP*GP*CP*CP*TP*G)-3'), SODIUM ION
Authors:Yi, J, Wan, L, Guo, P.
Deposit date:2021-09-03
Release date:2022-02-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structures of d(GGCCTG)n repeats associated with spinocerebellar ataxia type 36.
Int.J.Biol.Macromol., 201, 2022
3IWP
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BU of 3iwp by Molmil
Crystal structure of human copper homeostasis protein CutC
Descriptor: Copper homeostasis protein cutC homolog
Authors:Li, Y, Du, J, Zhang, P, Ding, J.
Deposit date:2009-09-03
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human copper homeostasis protein CutC reveals a potential copper-binding site
To be Published
3E7S
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BU of 3e7s by Molmil
Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791
Descriptor: ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-18
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6EQ2
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BU of 6eq2 by Molmil
MTH1 in complex with fragment 6
Descriptor: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
6EQ7
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BU of 6eq7 by Molmil
MTH1 in complex with fragment 11
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine, SULFATE ION
Authors:Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2017-10-12
Release date:2018-10-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
3I8W
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BU of 3i8w by Molmil
Crystal structure of a metallacarborane inhibitor bound to HIV protease
Descriptor: CHLORIDE ION, COBALT BIS(1,2-DICARBOLLIDE), GLYCEROL, ...
Authors:Rezacova, P.
Deposit date:2009-07-10
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of HIV Protease Inhibitors Based on Inorganic Polyhedral Metallacarboranes
J.Med.Chem., 52, 2009
3PXO
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BU of 3pxo by Molmil
Crystal structure of Metarhodopsin II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, RETINAL, ...
Authors:Choe, H.-W, Kim, Y.J, Park, J.H, Morizumi, T, Pai, E.F, Krauss, N, Hofmann, K.P, Scheerer, P, Ernst, O.P.
Deposit date:2010-12-10
Release date:2011-03-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of metarhodopsin II.
Nature, 471, 2011
1SGG
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BU of 1sgg by Molmil
THE SOLUTION STRUCTURE OF SAM DOMAIN FROM THE RECEPTOR TYROSINE KINASE EPHB2, NMR, 10 STRUCTURES
Descriptor: EPHRIN TYPE-B RECEPTOR 2
Authors:Smalla, M, Schmieder, P, Kelly, M, Ter Laak, A, Krause, G, Ball, L, Wahl, M, Bork, P, Oschkinat, H.
Deposit date:1999-01-08
Release date:1999-10-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the receptor tyrosine kinase EphB2 SAM domain and identification of two distinct homotypic interaction sites.
Protein Sci., 8, 1999
8CEI
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BU of 8cei by Molmil
Succinyl-CoA Reductase from Clostridium kluyveri (SucD)
Descriptor: Succinate-semialdehyde dehydrogenase (acetylating)
Authors:Pfister, P, Diehl, C, Erb, T.J.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enhancing the Substrate Specificity of Clostridium Succinyl-CoA Reductase for Synthetic Biology and Biocatalysis.
Biochemistry, 62, 2023
6ECD
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BU of 6ecd by Molmil
Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a tetradepsipeptide
Descriptor: Vlm2, tetradepsipeptide
Authors:Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M.
Deposit date:2018-08-07
Release date:2018-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid.
Nature, 565, 2019
4GDP
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BU of 4gdp by Molmil
Yeast polyamine oxidase FMS1, N195A mutant
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Polyamine oxidase FMS1, TETRAETHYLENE GLYCOL
Authors:Taylor, A.B, Adachi, M.S, Hart, P.J, Fitzpatrick, P.F.
Deposit date:2012-08-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9998 Å)
Cite:Mechanistic and Structural Analyses of the Roles of Active Site Residues in Yeast Polyamine Oxidase Fms1: Characterization of the N195A and D94N Enzymes.
Biochemistry, 51, 2012
1TFM
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BU of 1tfm by Molmil
CRYSTAL STRUCTURE OF A RIBOSOME INACTIVATING PROTEIN IN ITS NATURALLY INHIBITED FORM
Descriptor: 2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mishra, V, Bilgrami, S, Paramasivam, M, Yadav, S, Sharma, R.S, Kaur, P, Srinivasan, A, Babu, C.R, Singh, T.P.
Deposit date:2004-05-27
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CRYSTAL STRUCTURE OF A RIBOSOME INACTIVATING PROTEIN IN ITS NATURALLY INHIBITED FORM
To be Published

223790

数据于2024-08-14公开中

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