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9RSA
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BU of 9rsa by Molmil
CRYSTAL STRUCTURE OF TWO COVALENT NUCLEOSIDE DERIVATIVES OF RIBONUCLEASE A
Descriptor: 3'-DEOXY-3'-ACETAMIDO-URIDINE, RIBONUCLEASE A
Authors:Nachman, J, Wlodawer, A.
Deposit date:1989-08-28
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of two covalent nucleoside derivatives of ribonuclease A.
Biochemistry, 29, 1990
9RAT
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BU of 9rat by Molmil
EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K
Descriptor: RIBONUCLEASE A
Authors:Tilton Jr, R.F, Dewan, J.C, Petsko, G.A, Gilbert, W.
Deposit date:1991-08-13
Release date:1993-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K.
Biochemistry, 31, 1992
9PTI
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BU of 9pti by Molmil
BASIC PANCREATIC TRYPSIN INHIBITOR (MET 52 OXIDIZED)
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Eigenbrot, C, Randal, M, Kossiakoff, A.A.
Deposit date:1991-04-08
Release date:1992-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:

9NSE
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BU of 9nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ...
Authors:Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-01-13
Release date:2000-10-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
9IWQ
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BU of 9iwq by Molmil
Salmonella enterica serovar Typhimurium FliC(G426A)delta(204-292) forming the L-type straight filament
Descriptor: Flagellin
Authors:Waraich, K, Makino, F, Miyata, T, Kinoshita, M, Minamino, T, Namba, K.
Deposit date:2024-07-25
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (2.08 Å)
Cite:Salmonella enterica serovar Typhimurium FliC(G426A)delta(204-292) forming the L-type straight filament
To Be Published
9INS
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BU of 9ins by Molmil
MONOVALENT CATION BINDING IN CUBIC INSULIN CRYSTALS
Descriptor: INSULIN (CHAIN A), INSULIN (CHAIN B)
Authors:Badger, J, Dodson, G.G.
Deposit date:1991-10-23
Release date:1991-11-07
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Monovalent cation binding to cubic insulin crystals
Biophys.J., 61, 1992
9IK2
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BU of 9ik2 by Molmil
The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H109
Descriptor: 3C-like proteinase, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Feng, Y, Zheng, W.Y, Han, P, Fu, L.F, Qi, J.X.
Deposit date:2024-06-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided discovery of a small molecule inhibitor of SARS-CoV-2 main protease with potent in vitro and in vivo antiviral activities
To Be Published
9IJB
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BU of 9ijb by Molmil
Crystal structure and function analysis of a highly potential drug target 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis
Descriptor: 6-phosphogluconate dehydrogenase, NAD(+)-dependent, decarboxylating
Authors:Wang, Y.Z, Ren, X.Q, Li, T, Zhang, R.D.
Deposit date:2024-06-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.740405 Å)
Cite:Crystal structure and function analysis of 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 731, 2024
9IIL
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BU of 9iil by Molmil
Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P.
Deposit date:2024-06-20
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 A resolution
To Be Published
9ICL
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BU of 9icl by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF PYROPHOSPHATE AND MNCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), MANGANESE (II) ION, ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-01-04
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis
Biochemistry, 35, 1996
9ICJ
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BU of 9icj by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-15
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis
Biochemistry, 35, 1996
9ICI
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BU of 9ici by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DTTP (1 MILLIMOLAR) AND ZNCL2 (1 MILLIMOLAR)
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-15
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
9ICH
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BU of 9ich by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DGTP (1 MILLIMOLAR) AND ZNCL2 (1 MILLIMOLAR)
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-15
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
9ICG
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BU of 9icg by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DCTP (1 MILLIMOLAR) AND ZNCL2 (1 MILLIMOLAR)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-15
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
9ICE
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BU of 9ice by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (1 MILLIMOLAR) AND CUCL2 (0.1 MILLIMOLAR)
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-15
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
9ICC
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BU of 9icc by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'-TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DATP AND CRCL3
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CHROMIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-15
Release date:1995-12-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
9ICB
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BU of 9icb by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'-TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DATP AND COCL2
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, COBALT (II) ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-15
Release date:1995-12-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
9ICA
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BU of 9ica by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2'-DEOXYADENOSINE-5'-O-(1-THIOTRIPHOSPHATE), SOAKED IN THE PRESENCE OF DATP(ALPHA)S AND MNCL2
Descriptor: 2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE), DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1995-12-15
Release date:1995-12-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
9G5Z
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BU of 9g5z by Molmil
Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF
Descriptor: CHLORIDE ION, Endoribonuclease MazF, GLYCEROL, ...
Authors:Prolic-Kalinsek, M, Haesaerts, S, Loris, R.
Deposit date:2024-07-17
Release date:2024-07-24
Method:X-RAY DIFFRACTION (3.42909384 Å)
Cite:Staphylococcus aureus MazF in complex with Nanobody 11
To Be Published
9G2G
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BU of 9g2g by Molmil
Staphylococcus aureus MazF in complex with nanobody 5
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoribonuclease MazF, Nanobody 5
Authors:Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R.
Deposit date:2024-07-10
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.80048239 Å)
Cite:Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF
To Be Published
9G2A
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BU of 9g2a by Molmil
Staphylococcus aureus MazF in complex with nanobody 4
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoribonuclease MazF, ...
Authors:Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R.
Deposit date:2024-07-10
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.046594 Å)
Cite:Staphylococcus aureus MazF in complex with nanobody 4.
To Be Published
9FZ4
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BU of 9fz4 by Molmil
SARS CoV-2 nsp10 in complex with theExoN domain from nsp14
Descriptor: GLYCEROL, Guanine-N7 methyltransferase nsp14, MAGNESIUM ION, ...
Authors:Fisher, S.Z.
Deposit date:2024-07-04
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:SARS CoV-2 nsp10 in complex with theExoN domain from nsp14
To Be Published
9FYB
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BU of 9fyb by Molmil
Structural Insights into the NMN Complex of Nicotinate Nucleotide Adenylyltransferase from Enterococcus faecium via Co-Crystallization Studies
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A.
Deposit date:2024-07-03
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Insights into the NMN Complex of Nicotinate Nucleotide Adenylyltransferase from Enterococcus faecium via Co-Crystallization Studies
To be published
9FXP
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BU of 9fxp by Molmil
Crystal structure of BRD4 BD1 with DI00626383.
Descriptor: 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4
Authors:Bader, G, Reinert, D.
Deposit date:2024-07-02
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 2024
9FX7
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BU of 9fx7 by Molmil
Crystal structure of Cryo2RT SARS-CoV-2 main protease at 294K
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:2024-08-07
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryocooled crystals.
Acta Crystallogr D Struct Biol, 2024

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