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PDB: 12920 results

6TJL
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BU of 6tjl by Molmil
Mature primitive pytochelatin synthase Alr0975 from Nostoc species bound to glutathione
Descriptor: Alr0975 protein, CALCIUM ION, GLUTATHIONE
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2019-11-26
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Mature primitive pytochelatin synthase Alr0975 from Nostoc species bound to glutathione
To Be Published
6TJX
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BU of 6tjx by Molmil
Cryo-EM structure of TypeII tau filaments extracted from the brains of individuals with Corticobasal degeneration
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W.
Deposit date:2019-11-27
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Novel tau filament fold in corticobasal degeneration.
Nature, 580, 2020
6TN6
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BU of 6tn6 by Molmil
X-ray structure of the endo-beta-1,4-mannanase from Thermotoga petrophila
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:da Silva, V.M, Squina, F.M, Sperenca, M, Martin, L, Muniz, J.R.C, Garcia, W, Nicolet, Y.
Deposit date:2019-12-06
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-resolution structure of a modular hyperthermostable endo-beta-1,4-mannanase from Thermotoga petrophila: The ancillary immunoglobulin-like module is a thermostabilizing domain.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
6TSI
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BU of 6tsi by Molmil
cd1 nitrite reductase NirS with bound dihydro-heme d1
Descriptor: CHLORIDE ION, HEME C, HEME D, ...
Authors:Kluenemann, T, Blankenfeldt, W.
Deposit date:2019-12-20
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of heme d 1 -free cd 1 nitrite reductase NirS.
Acta Crystallogr.,Sect.F, 76, 2020
6L5A
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BU of 6l5a by Molmil
The structure of the UdgX mutant H109E at a pre-excision state
Descriptor: GLYCEROL, IRON/SULFUR CLUSTER, Uracil DNA glycosylase superfamily protein
Authors:Xie, W, Tu, J, Zeng, H.
Deposit date:2019-10-22
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.80007327 Å)
Cite:Structural insights into an MsmUdgX mutant capable of both crosslinking and uracil excision capability.
DNA Repair (Amst), 97, 2021
6TRU
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BU of 6tru by Molmil
Crystal structure of the N-terminal half of the TFIIH subunit p52
Descriptor: RNA polymerase II transcription factor B subunit 2
Authors:Koelmel, W, Kuper, J, Schoenwetter, E, Kisker, C.
Deposit date:2019-12-19
Release date:2020-10-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH.
Nucleic Acids Res., 48, 2020
6TTM
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BU of 6ttm by Molmil
Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ...
Authors:Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-12-29
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
6TU9
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BU of 6tu9 by Molmil
The ROR1 Pseudokinase Domain Bound To Ponatinib
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Inactive tyrosine-protein kinase transmembrane receptor ROR1
Authors:Mathea, S, Preuss, F, Chatterjee, D, Niininen, W, Ungureanu, D, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2020-01-04
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases.
Mol.Cell, 79, 2020
1A0S
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BU of 1a0s by Molmil
SUCROSE-SPECIFIC PORIN
Descriptor: CALCIUM ION, SUCROSE-SPECIFIC PORIN
Authors:Diederichs, K, Welte, W.
Deposit date:1997-12-07
Release date:1998-06-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the sucrose-specific porin ScrY from Salmonella typhimurium and its complex with sucrose.
Nat.Struct.Biol., 5, 1998
6TV2
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BU of 6tv2 by Molmil
Heme d1 biosynthesis associated Protein NirF
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Protein NirF, ...
Authors:Kluenemann, T, Layer, G, Blankenfeldt, W.
Deposit date:2020-01-08
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:Crystal structure of NirF: insights into its role in heme d 1 biosynthesis.
Febs J., 288, 2021
6TYD
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BU of 6tyd by Molmil
Structure of human LDB1 in complex with SSBP2
Descriptor: LIM domain-binding protein 1, Single-stranded DNA-binding protein 2
Authors:Wang, H, Wang, Z, Xu, W.
Deposit date:2019-08-08
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Crystal structure of human LDB1 in complex with SSBP2.
Proc.Natl.Acad.Sci.USA, 117, 2020
1A0T
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BU of 1a0t by Molmil
SUCROSE-SPECIFIC PORIN, WITH BOUND SUCROSE MOLECULES
Descriptor: CALCIUM ION, SUCROSE-SPECIFIC PORIN, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Diederichs, K, Welte, W.
Deposit date:1997-12-08
Release date:1998-03-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the sucrose-specific porin ScrY from Salmonella typhimurium and its complex with sucrose.
Nat.Struct.Biol., 5, 1998
6U4X
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BU of 6u4x by Molmil
Crystal structure of Equine Serum Albumin complex with ibuprofen
Descriptor: IBUPROFEN, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-26
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
6U7Z
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BU of 6u7z by Molmil
RNA hairpin structure containing one TNA nucleotide as primer
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*GP*CP*CP*GP*AP*AP*AP*GP*(TG))-3')
Authors:Szostak, J.W, Zhang, W.
Deposit date:2019-09-03
Release date:2020-12-09
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
6UC4
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BU of 6uc4 by Molmil
Barbed end side of a cofilactin cluster
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
Deposit date:2019-09-13
Release date:2020-01-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (9.2 Å)
Cite:Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TV9
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BU of 6tv9 by Molmil
Heme d1 biosynthesis associated Protein NirF in complex with dihydro-heme d1
Descriptor: HEME D, Protein NirF,Protein NirF
Authors:Kluenemann, T, Layer, G, Blankenfeldt, W.
Deposit date:2020-01-09
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Crystal structure of NirF: insights into its role in heme d 1 biosynthesis.
Febs J., 288, 2021
6LOI
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BU of 6loi by Molmil
Crystal structure of Enterococcus faecalis Undecaprenyl pyrophosphate synthase(EfaUPPS)
Descriptor: Isoprenyl transferase
Authors:Lin, W, Wang, C.Y, Li, W.J, Wang, F.L.
Deposit date:2020-01-05
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Investigations into the Antibacterial Mechanism of Action of Viridicatumtoxins.
Acs Infect Dis., 6, 2020
1A5I
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BU of 1a5i by Molmil
CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, PLASMINOGEN ACTIVATOR
Authors:Renatus, M, Stubbs, M.T, Bode, W.
Deposit date:1998-02-17
Release date:1999-03-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Catalytic domain structure of vampire bat plasminogen activator: a molecular paradigm for proteolysis without activation cleavage.
Biochemistry, 36, 1997
1AQJ
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BU of 1aqj by Molmil
STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
Descriptor: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, SINEFUNGIN
Authors:Schluckebier, G, Saenger, W.
Deposit date:1996-07-25
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
7RTC
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BU of 7rtc by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with NaMN
Descriptor: NAD(+) hydrolase sarm1, NICOTINATE MONONUCLEOTIDE
Authors:Gu, W, Ve, T, Kobe, B.
Deposit date:2021-08-13
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Nicotinic acid mononucleotide is an allosteric SARM1 inhibitor promoting axonal protection.
Exp Neurol, 345, 2021
5HCN
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BU of 5hcn by Molmil
GPN-loop GTPase Npa3 in complex with GMPPCP
Descriptor: GLYCEROL, GPN-loop GTPase 1, LAURIC ACID, ...
Authors:Niesser, J, Wagner, F.R, Kostrewa, D, Muehlbacher, W, Cramer, P.
Deposit date:2016-01-04
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of GPN-Loop GTPase Npa3 and Implications for RNA Polymerase II Assembly.
Mol.Cell.Biol., 36, 2015
5HCI
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BU of 5hci by Molmil
GPN-loop GTPase Npa3 in complex with GDP
Descriptor: GLYCEROL, GPN-loop GTPase 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Niesser, J, Wagner, F.R, Kostrewa, D, Muehlbacher, W, Cramer, P.
Deposit date:2016-01-04
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of GPN-Loop GTPase Npa3 and Implications for RNA Polymerase II Assembly.
Mol.Cell.Biol., 36, 2015
7RFR
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BU of 7rfr by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2021-07-14
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.626 Å)
Cite:An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFU
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BU of 7rfu by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2021-07-14
Release date:2021-11-10
Last modified:2022-01-05
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFW
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BU of 7rfw by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2021-07-14
Release date:2021-11-10
Last modified:2022-01-05
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021

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