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8X8P
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BU of 8x8p by Molmil
Phenylethanol rhamnosyltransferase (CmGT3)
Descriptor: 1,2-ETHANEDIOL, Phenylethanol rhamnosyltransferase (CmGT3)
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-11-28
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of Phenylethanol rhamnosyltransferase(CmGT3)
To Be Published
6TY1
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BU of 6ty1 by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2, ...
Authors:Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
Deposit date:2020-01-15
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
9B75
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BU of 9b75 by Molmil
Crystal structure of humanized 44H10 Fab Version 17
Descriptor: 1,2-ETHANEDIOL, h44H10-V17 Antibody, heavy chain, ...
Authors:Kassardjian, A, Julien, J.P.
Deposit date:2024-03-27
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Humanization of Pan-HLA-DR mAb 44H10 Hinges on Critical Residues in the Antibody Framework.
Antibodies, 13, 2024
8YKI
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BU of 8yki by Molmil
FGFR-1 in complex with ligand tasurgratinib
Descriptor: CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib
Authors:Ikemori-Kawada, M, Watanabe Miyano, S.
Deposit date:2024-03-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Anticancer Res., 44, 2024
8YRT
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BU of 8yrt by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis in the holo form obtained at pH 7.0
Descriptor: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
Authors:Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Boyko, K.M.
Deposit date:2024-03-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis in the holo form obtained at pH 7.0
To Be Published
6U57
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BU of 6u57 by Molmil
KDO8PS Structure Determined at the EuXFEL using Segmented Flow Injection
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase
Authors:Botha, S, Ros, A.
Deposit date:2019-08-27
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Segmented flow generator for serial crystallography at the European X-ray free electron laser.
Nat Commun, 11, 2020
8XW9
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BU of 8xw9 by Molmil
Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and UDP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
Authors:Nakashima, R, Taguchi, A.
Deposit date:2024-01-16
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Nucleotide Selectivity in Pyruvate Kinase.
J.Mol.Biol., 436, 2024
9BFN
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BU of 9bfn by Molmil
Cryo-EM co-structure of AcrB with the CU232 efflux pump inhibitor
Descriptor: (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB
Authors:Su, C.C.
Deposit date:2024-04-18
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
9FSV
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BU of 9fsv by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with epoxyketone inhibitor 42
Descriptor: (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S.
Deposit date:2024-06-22
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
8WOP
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BU of 8wop by Molmil
Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, wild-type
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE
Authors:Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S.
Deposit date:2023-10-07
Release date:2024-05-08
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 119, 2024
9C0Z
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BU of 9c0z by Molmil
Clathrin terminal domain complexed with pitstop 2d
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V.
Deposit date:2024-05-28
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
8YM1
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BU of 8ym1 by Molmil
Structure of SADS-CoV Virus Nucleocapsid Protein
Descriptor: nucleocapsid phosphoprotein
Authors:Zhang, Y, Wu, F, Xu, W.
Deposit date:2024-03-08
Release date:2024-07-24
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unraveling the assembly mechanism of SADS-CoV virus nucleocapsid protein: insights from RNA binding, dimerization, and epitope diversity profiling.
J.Virol., 2024
8YDO
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BU of 8ydo by Molmil
Crystal structure of dKeima570
Descriptor: Large stokes shift fluorescent protein
Authors:Nam, K.H.
Deposit date:2024-02-21
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of dKeima570
To Be Published
9BDV
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BU of 9bdv by Molmil
NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA
Descriptor: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
6OO8
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BU of 6oo8 by Molmil
Dehaloperoxidase B in complex with substrate pentachlorophenol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2020-04-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
8YRU
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BU of 8yru by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis (apo form) after 15 sec of soaking with phenylhydrazine
Descriptor: ACETATE ION, Aminotransferase class IV, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate
Authors:Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Boyko, K.M.
Deposit date:2024-03-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis (apo form) after 15 sec of soaking with phenylhydrazine
To Be Published
9BDU
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BU of 9bdu by Molmil
NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Huang, D, Ghosh, G.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9CIL
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BU of 9cil by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Zhang, Y, Schlessman, J.L, Siegler, M.A, Garcia-Moreno E, B.
Deposit date:2024-07-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
To Be Published
8WO8
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BU of 8wo8 by Molmil
Crystal Structure of an RNA-binding protein, FAU-1, from Pyrococcus furiosus
Descriptor: Probable ribonuclease FAU-1, RNA (5'-R(P*AP*UP*A)-3')
Authors:Kawai, G, Okada, K, Baba, S, Sato, A, Sakamoto, T, Kanai, A.
Deposit date:2023-10-06
Release date:2024-02-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Homo-trimeric structure of the ribonuclease for rRNA processing, FAU-1, from Pyrococcus furiosus.
J.Biochem., 175, 2024
8X34
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BU of 8x34 by Molmil
Human Kelch like-ECH Associated Protein 1 (Keap1)
Descriptor: Kelch-like ECH-associated protein 1
Authors:Yilmaz, M, Gul, M, DeMirci, H.
Deposit date:2023-11-11
Release date:2023-11-22
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human KEAP1 Kelch domain at ambient temperature
To Be Published
8XW8
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BU of 8xw8 by Molmil
Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and GDP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Nakashima, R, Taguchi, A.
Deposit date:2024-01-16
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Nucleotide Selectivity in Pyruvate Kinase.
J.Mol.Biol., 436, 2024
9BBG
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BU of 9bbg by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028671
Descriptor: 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ...
Authors:Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal structure of human DDB1 bound to fragment UB028671
To be published
6U1H
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BU of 6u1h by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2019-08-15
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
8XX9
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BU of 8xx9 by Molmil
Rhodothermus marinus alpha-amylase RmGH13_47A CBM48-A-B-C domains
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Tonozuka, T.
Deposit date:2024-01-18
Release date:2024-02-07
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the recognition of alpha-1,6-branched alpha-glucan by GH13_47 alpha-amylase from Rhodothermus marinus.
Proteins, 92, 2024
9EYX
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BU of 9eyx by Molmil
Human PRMT5 in complex with AZ compound 28
Descriptor: (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 2024

224004

PDB entries from 2024-08-21

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