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9COJ
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BU of 9coj by Molmil
SH3-like tandem domain of human KIN protein
Descriptor: DNA/RNA-binding protein KIN17
Authors:de Lourenco, I.O, Fossey, M.A, Souza, F.P, Seixas, F.A.V, Fernandez, M.A, Almeida, F.C.L, Caruso, I.P.
Deposit date:2024-07-16
Release date:2024-07-31
Method:SOLUTION NMR
Cite:Solution structure of SH3-like tandem domain of human KIN protein and its interaction with RNA homo-oligonucleotides
To Be Published
9FII
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BU of 9fii by Molmil
Crystal Structure of oxidized NuoEF variant E222K(NuoF) from Aquifex aeolicus
Descriptor: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-29
Release date:2024-07-17
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9EZG
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BU of 9ezg by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Descriptor: 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ...
Authors:Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-04-12
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
4K00
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BU of 4k00 by Molmil
Crystal structure of Slr0204, a 1,4-dihydroxy-2-naphthoyl-CoA thioesterase from Synechocystis
Descriptor: 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoyl-CoA hydrolase
Authors:Furt, F, Allen, W.J, Widhalm, J.R, Madzelan, P, Rizzo, R.C, Basset, G, Wilson, M.A.
Deposit date:2013-04-03
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis.
Acta Crystallogr.,Sect.D, 69, 2013
9FJD
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BU of 9fjd by Molmil
Expanded CVB1-VLP (Tween80)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Plavec, Z, Butcher, S.J.
Deposit date:2024-05-31
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates.
Res Sq, 2024
4Z65
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BU of 4z65 by Molmil
Carboxypeptidase B with Sulphamoil Arginine
Descriptor: Carboxypeptidase B, N~2~-sulfamoyl-L-arginine, ZINC ION
Authors:Timofeev, V.I, Akparov, V.K, Kuranova, I.P.
Deposit date:2015-04-03
Release date:2015-10-14
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of the complex of carboxypeptidase B and N-sulfamoyl-L-arginine.
Acta Crystallogr.,Sect.F, 71, 2015
9FX6
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BU of 9fx6 by Molmil
Crystal structure of Cryo2RT SARS-CoV-2 main protease at 100K
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Huang, C.Y, Aumonier, S, Mac Sweeney, A, Olieric, V, Wang, M.
Deposit date:2024-07-01
Release date:2024-07-31
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
4K0E
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BU of 4k0e by Molmil
X-ray crystal structure of a heavy metal efflux pump, crystal form II
Descriptor: Heavy metal cation tricomponent efflux pump ZneA(CzcA-like), ZINC ION
Authors:Pak, J.E, Ngonlong Ekende, E, Vandenbussche, G, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2013-04-03
Release date:2013-10-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.713 Å)
Cite:Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
9FQJ
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BU of 9fqj by Molmil
E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12)
Descriptor: 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2024-06-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.563 Å)
Cite:Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
4JYQ
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BU of 4jyq by Molmil
DHP-CO crystal structure
Descriptor: CARBON MONOXIDE, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhao, J, Srajer, V, Franzen, S.
Deposit date:2013-03-31
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Observation of protein valves for the control of the internal flow of small molecules using time-resolved X-ray crystallography
To be Published
4K0J
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BU of 4k0j by Molmil
X-ray crystal structure of a heavy metal efflux pump, crystal form I
Descriptor: Heavy metal cation tricomponent efflux pump ZneA(CzcA-like), ZINC ION
Authors:Pak, J.E, Stroud, R.M, Ngonlong Ekende, E, Vandenbussche, G, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2013-04-04
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
9FQH
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BU of 9fqh by Molmil
E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1)
Descriptor: 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2024-06-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
4JZ2
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BU of 4jz2 by Molmil
Crystal structure of Co ion substituted SOD2 from Clostridium difficile
Descriptor: COBALT (II) ION, Superoxide dismutase
Authors:Li, W, Ying, T.L, Wang, C.L, Zhao, Y, Wang, H.F, Tan, X.S.
Deposit date:2013-04-02
Release date:2014-04-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Co ion substituted SOD2 from Clostridium difficile
To be Published
4Z76
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BU of 4z76 by Molmil
Weak TCR binding to an unstable insulin epitope drives type 1 diabetes
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Cole, D.K.
Deposit date:2015-04-06
Release date:2015-06-24
Last modified:2015-08-12
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Distortion of the Major Histocompatibility Complex Class I Binding Groove to Accommodate an Insulin-derived 10-Mer Peptide.
J.Biol.Chem., 290, 2015
9FXN
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BU of 9fxn by Molmil
Human mitochondrial nuclease EXOG (hEXOG)
Descriptor: MAGNESIUM ION, Nuclease EXOG, mitochondrial
Authors:Karasinska, J.M, Szymanski, M.R.
Deposit date:2024-07-02
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Human mitochondrial nuclease EXOG (hEXOG)
Nat Commun, 8, 2017
4K44
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BU of 4k44 by Molmil
Auto-inhibition and phosphorylation-induced activation of PLC-gamma isozymes
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
Authors:Hajicek, N, Sondek, J.
Deposit date:2013-04-11
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Autoinhibition and Phosphorylation-Induced Activation of Phospholipase C-gamma Isozymes.
Biochemistry, 52, 2013
9G0B
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BU of 9g0b by Molmil
Rhinovirus A2 uncoating intermediate revealing the natural pocket factor (pH 5.8 and 4 degrees Celsius)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Real-Hohn, A, Blaas, D.
Deposit date:2024-07-07
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rhinovirus A2 uncoating intermediate revealing the natural pocket factor (pH 5.8 and 4 degrees Celsius)
To Be Published
6D7U
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BU of 6d7u by Molmil
The crystal structure of hemagglutinin from A/Guangdong/17SF003/2016 H7N9 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Yang, H, Stevens, J.
Deposit date:2018-04-25
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Molecular Characterization of the Hemagglutinin from the Fifth-Epidemic-Wave A(H7N9) Influenza Viruses.
J. Virol., 92, 2018
9BOK
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BU of 9bok by Molmil
Crystal structure of reduced bovine trypsin, 50mM DTT-treated
Descriptor: BENZAMIDINE, Cationic trypsin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-05-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of reduced bovine trypsin, 50mM DTT-treated
To Be Published
9BOM
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BU of 9bom by Molmil
Crystal structure of reduced bovine trypsin, 25mM DTT-treated
Descriptor: BENZAMIDINE, Cationic trypsin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-05-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of reduced bovine trypsin, 25mM DTT-treated
To Be Published
9CIJ
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BU of 9cij by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23E/L36R at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Zhang, Y, Schlessman, L.J, Siegler, M.A, Garcia-Moreno E, B.
Deposit date:2024-07-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS V23E/L36R at cryogenic temperature
To Be Published
9BR7
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BU of 9br7 by Molmil
Crystal structure of human succinyl-CoA:glutarate-CoA transferase (SUGCT) in complex with Losartan carboxylic acid
Descriptor: AMMONIUM ION, SULFATE ION, Succinate--hydroxymethylglutarate CoA-transferase, ...
Authors:Wu, R, Lazarus, M.B.
Deposit date:2024-05-10
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Characterization, Structure, and Inhibition of the Human Succinyl-CoA:glutarate-CoA Transferase, a Putative Genetic Modifier of Glutaric Aciduria Type 1.
Acs Chem.Biol., 19, 2024
9G2U
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BU of 9g2u by Molmil
Endophilin B1 dimer bound to nanodisc center
Descriptor: Endophilin-B1
Authors:Thorlacius, A, Sundborger-Lunna, A.
Deposit date:2024-07-11
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Endophilin B1 dimers bound to nanodiscs
To Be Published
4K74
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BU of 4k74 by Molmil
The UmuC subunit of the E. coli DNA polymerase V shows a unique interaction with the beta-clamp processivity factor.
Descriptor: DNA polymerase III subunit beta, UmuC peptide
Authors:Patoli, A.A, Winter, J.A, Bunting, K.A.
Deposit date:2013-04-16
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The UmuC subunit of the E. coli DNA polymerase V shows a unique interaction with the beta-clamp processivity factor.
Bmc Struct.Biol., 13, 2013
6DFH
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BU of 6dfh by Molmil
BG505 MD64 N332-GT2 SOSIP trimer in complex with germline-reverted BG18 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Ozorowski, G, Steichen, J.M, Schief, W.R, Ward, A.B.
Deposit date:2018-05-14
Release date:2019-11-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019

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数据于2024-08-14公开中

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