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1W57
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BU of 1w57 by Molmil
Structure of the Bifunctional IspDF from Campylobacter jejuni containing Zn
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ISPD/ISPF BIFUNCTIONAL ENZYME, ...
Authors:Gabrielsen, M, Bond, C.S, Hunter, W.N.
Deposit date:2004-08-06
Release date:2004-10-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis
J.Biol.Chem., 279, 2004
3CTL
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BU of 3ctl by Molmil
Crystal structure of D-Allulose 6-Phosphate 3-Epimerase from Escherichia coli K12 complexed with D-glucitol 6-phosphate and magnesium
Descriptor: D-SORBITOL-6-PHOSPHATE, D-allulose-6-phosphate 3-epimerase, MAGNESIUM ION
Authors:Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C.
Deposit date:2008-04-14
Release date:2009-02-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for substrate specificity in phosphate binding (beta/alpha)8-barrels: D-allulose 6-phosphate 3-epimerase from Escherichia coli K-12.
Biochemistry, 47, 2008
7NG9
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BU of 7ng9 by Molmil
Trimeric efflux pump Klebsiella TolC
Descriptor: Outer membrane channel protein
Authors:Webby, M.N, Housden, N.G, Kleanthous, C.
Deposit date:2021-02-08
Release date:2021-06-30
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Toxin import through the antibiotic efflux channel TolC.
Nat Commun, 12, 2021
1N4E
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BU of 1n4e by Molmil
Crystal Structure of a DNA Decamer Containing a Thymine-dimer
Descriptor: 5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3'
Authors:Park, H, Zhang, K, Ren, Y, Nadji, S, Sinha, N, Taylor, J.-S, Kang, C.
Deposit date:2002-10-30
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a DNA decamer containing a cis-syn thymine dimer.
Proc.Natl.Acad.Sci.USA, 99, 2002
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-04-13
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
8C8J
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BU of 8c8j by Molmil
Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ...
Authors:Nichols, C.E, Walpole, T.B, Baldwin, E.
Deposit date:2023-01-20
Release date:2023-12-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
8CBU
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BU of 8cbu by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884
Descriptor: (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBS
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BU of 8cbs by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871
Descriptor: (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
1W72
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BU of 1w72 by Molmil
Crystal structure of HLA-A1:MAGE-A1 in complex with Fab-Hyb3
Descriptor: BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Hulsmeyer, M, Chames, P, Hillig, R.C, Stanfield, R.L, Held, G, Coulie, P.G, Alings, C, Wille, G, Saenger, W, Uchanska-Ziegler, B, Hoogenboom, H.R, Ziegler, A.
Deposit date:2004-08-27
Release date:2004-11-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Major Histocompatibility Complex.Peptide- Restricted Antibody and T Cell Receptor Molecules Recognize Their Target by Distinct Binding Modes: Crystal Structure of Human Leukocyte Antigen (Hla)-A1.Mage-A1 in Complex with Fab-Hyb3
J.Biol.Chem., 280, 2005
8I6K
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BU of 8i6k by Molmil
Structure of hMNDA HIN with dsDNA
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ...
Authors:Li, Y.L, Jin, T.C.
Deposit date:2023-01-28
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism of dsDNA recognition by the hMNDA HIN domain: New insights into the DNA-binding model of a PYHIN protein.
Int.J.Biol.Macromol., 245, 2023
8IMI
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BU of 8imi by Molmil
A1-A2, A3-A4, B'1-B'2, C'1-C'2 cylinder in cyanobacterial phycobilisome from Anthocerotibacter panamensis (Cluster A)
Descriptor: ApcA2, ApcB2, ApcB3, ...
Authors:Wang, C.H, Yang, C.H, Wu, H.Y, Jiang, H.W, Ho, M.C, Ho, M.Y.
Deposit date:2023-03-07
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:A structure of the relict phycobilisome from a thylakoid-free cyanobacterium.
Nat Commun, 14, 2023
5WAL
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BU of 5wal by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-06-26
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
3VNJ
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BU of 3vnj by Molmil
Crystal structures of D-Psicose 3-epimerase with D-psicose from Clostridium cellulolyticum H10
Descriptor: D-psicose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel
Authors:Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y.
Deposit date:2012-01-16
Release date:2012-08-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
6EDC
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BU of 6edc by Molmil
hcGAS-16bp dsDNA complex
Descriptor: Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ...
Authors:Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J.
Deposit date:2018-08-09
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation.
Proc.Natl.Acad.Sci.USA, 116, 2019
8CBV
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BU of 8cbv by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916
Descriptor: (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
1MAS
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BU of 1mas by Molmil
PURINE NUCLEOSIDE HYDROLASE
Descriptor: INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE, POTASSIUM ION
Authors:Degano, M, Gopaul, D.N, Scapin, G, Schramm, V.L, Sacchettini, J.C.
Deposit date:1995-12-18
Release date:1996-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of the inosine-uridine nucleoside N-ribohydrolase from Crithidia fasciculata.
Biochemistry, 35, 1996
1EMZ
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BU of 1emz by Molmil
SOLUTION STRUCTURE OF FRAGMENT (350-370) OF THE TRANSMEMBRANE DOMAIN OF HEPATITIS C ENVELOPE GLYCOPROTEIN E1
Descriptor: ENVELOPE GLYCOPROTEIN E1
Authors:Op De Beeck, A, Montserret, R, Duvet, S, Cocquerel, L, Cacan, R, Barberot, B, Le Maire, M, Penin, F, Dubuisson, J.
Deposit date:2000-03-20
Release date:2000-04-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The transmembrane domains of hepatitis C virus envelope glycoproteins E1 and E2 play a major role in heterodimerization.
J.Biol.Chem., 275, 2000
7NET
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BU of 7net by Molmil
Crystal structure of the v-Src SH3 domain W95R-I96T mutant
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Camara-Artigas, A, Salinas-Garcia, M.C.
Deposit date:2021-02-04
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The impact of oncogenic mutations of the viral Src kinase on the structure and stability of the SH3 domain.
Acta Crystallogr D Struct Biol, 77, 2021
8IPX
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BU of 8ipx by Molmil
human nuclear pre-60S ribosomal particle - State C'
Descriptor: 28S rRNA, 5.8S rRNA, 5S RNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-03-15
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
8IPD
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BU of 8ipd by Molmil
human nuclear pre-60S ribosomal particle - State C
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Zhang, Y, Gao, N.
Deposit date:2023-03-14
Release date:2023-08-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Visualizing the nucleoplasmic maturation of human pre-60S ribosomal particles.
Cell Res., 33, 2023
1EBT
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BU of 1ebt by Molmil
HEMOGLOBIN I FROM THE CLAM LUCINA PECTINATA BOUND WITH CYANIDE
Descriptor: CYANIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Rosano, C, Bolognesi, M, Ascenzi, P.
Deposit date:1998-11-04
Release date:2000-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study.
Biophys.J., 77, 1999
6XUR
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BU of 6xur by Molmil
RNA dodecamer with a 6-hydrazino-2-aminopurine modified base
Descriptor: MAGNESIUM ION, RNA dodecamer with a 6-hydrazino-2-aminopurine modified base
Authors:Ennifar, E, Micura, R, Gasser, C, Brillet, K.
Deposit date:2020-01-21
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Thioguanosine Conversion Enables mRNA-Lifetime Evaluation by RNA Sequencing Using Double Metabolic Labeling (TUC-seq DUAL).
Angew.Chem.Int.Ed.Engl., 59, 2020
7N0D
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BU of 7n0d by Molmil
Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex
Descriptor: CHAPSO, MAGNESIUM ION, Non-structural protein 10, ...
Authors:Liu, C, Yang, Y.
Deposit date:2021-05-25
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis of mismatch recognition by a SARS-CoV-2 proofreading enzyme.
Science, 373, 2021
1N3Y
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BU of 1n3y by Molmil
Crystal structure of the alpha-X beta2 integrin I domain
Descriptor: Integrin alpha-X
Authors:Vorup-Jensen, T, Ostermeier, C, Shimaoka, M, Hommel, U, Springer, T.A.
Deposit date:2002-10-30
Release date:2003-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and allosteric regulation of the alpha X beta 2 integrin I domain.
Proc.Natl.Acad.Sci.USA, 100, 2003
8IMK
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BU of 8imk by Molmil
D3-D4, D1-D2, D'3-D'4, D'1-D'2 cylinder in cyanobacterial phycobilisome from Anthocerotibacter panamensis (Cluster C)
Descriptor: ApcA1, ApcA2, ApcB1, ...
Authors:Wang, C.H, Yang, C.H, Wu, H.Y, Jiang, H.W, Ho, M.C, Ho, M.Y.
Deposit date:2023-03-07
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:A structure of the relict phycobilisome from a thylakoid-free cyanobacterium.
Nat Commun, 14, 2023

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