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8TQP
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BU of 8tqp by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
Descriptor: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein
Authors:Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
Deposit date:2023-08-08
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
8TOV
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BU of 8tov by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
Descriptor: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17
Authors:Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
Deposit date:2023-08-04
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
1NK4
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BU of 1nk4 by Molmil
GUANINE-GUANINE MISMATCH AT THE POLYMERASE ACTIVE SITE
Descriptor: DNA POLYMERASE I, DNA PRIMER STRAND, DNA TEMPLATE STRAND, ...
Authors:Johnson, S.J, Beese, L.S.
Deposit date:2003-01-02
Release date:2004-03-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of mismatch replication errors observed in a DNA polymerase.
Cell(Cambridge,Mass.), 116, 2004
7PPB
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BU of 7ppb by Molmil
2.4 angstrom crystal structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
Descriptor: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2
Authors:Guo, J, Yu, M, Li, W.
Deposit date:2021-09-13
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
3E6I
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BU of 3e6i by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor indazole
Descriptor: 1H-indazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Porubsky, P.R, Meneely, K.M, Scott, E.E.
Deposit date:2008-08-15
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
5EP8
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BU of 5ep8 by Molmil
X-Ray Structure of the Complex Pyrimidine-nucleoside phosphorylase from Bacillus subtilis with Sulfate Ion
Descriptor: Pyrimidine-nucleoside phosphorylase, SODIUM ION, SULFATE ION
Authors:Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-11-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:X-Ray Structure of the Complex Pyrimidine-nucleoside phosphorylase from Bacillus subtilis with Sulfate Ion
To Be Published
1NKW
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BU of 1nkw by Molmil
Crystal Structure Of The Large Ribosomal Subunit From Deinococcus Radiodurans
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
Authors:Harms, J.M, Schluenzen, F, Zarivach, R, Bashan, A, Gat, S, Agmon, I, Bartels, H, Franceschi, F, Yonath, A.
Deposit date:2003-01-05
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:High resolution structure of the large ribosomal subunit from a mesophilic eubacterium
Cell(Cambridge,Mass.), 107, 2001
2RUJ
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BU of 2ruj by Molmil
Solution structure of MTSL spin-labeled Schizosaccharomyces pombe Sin1 CRIM domain
Descriptor: Stress-activated map kinase-interacting protein 1
Authors:Furuita, K, Kataoka, S, Sugiki, T, Kobayashi, N, Ikegami, T, Shiozaki, K, Fujiwara, T, Kojima, C.
Deposit date:2014-07-24
Release date:2015-07-29
Method:SOLUTION NMR
Cite:Utilization of paramagnetic relaxation enhancements for high-resolution NMR structure determination of a soluble loop-rich protein with sparse NOE distance restraints
J.Biomol.Nmr, 61, 2015
1N7Y
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BU of 1n7y by Molmil
STREPTAVIDIN MUTANT N23E AT 1.96A
Descriptor: Streptavidin
Authors:Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E.
Deposit date:2002-11-18
Release date:2003-09-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin.
Acta Crystallogr.,Sect.D, 59, 2003
7PPA
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BU of 7ppa by Molmil
High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
Descriptor: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL
Authors:Guo, J, Yu, M, Read, R.J, Li, W.
Deposit date:2021-09-13
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
8TXO
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BU of 8txo by Molmil
E. coli DNA-directed RNA polymerase transcription elongation complex bound to the unnatural dZ-PTP base pair in the active site
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Aiyer, S, Shan, Z, Oh, J, Wang, D, Tan, Y.Z, Lyumkis, D.
Deposit date:2023-08-23
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Overcoming resolution attenuation during tilted cryo-EM data collection.
Nat Commun, 15, 2024
2RTL
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BU of 2rtl by Molmil
STREPTAVIDIN-2-IMINOBIOTIN-SULFATE COMPLEX, PH 2.50, SPACE GROUP I4122
Descriptor: 2-IMINOBIOTIN, STREPTAVIDIN, SULFATE ION
Authors:Katz, B.A.
Deposit date:1997-09-11
Release date:1998-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
8TXX
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BU of 8txx by Molmil
Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 3)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-08-24
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
5EJ6
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BU of 5ej6 by Molmil
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2min then soaked with isochorismate for 2 min
Descriptor: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION
Authors:Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
Deposit date:2015-11-01
Release date:2016-06-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
1N8R
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BU of 1n8r by Molmil
Structure of large ribosomal subunit in complex with virginiamycin M
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L13P, ...
Authors:Hansen, J.L, Moore, P.B, Steitz, T.A.
Deposit date:2002-11-21
Release date:2003-07-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of the Large Ribosomal Subunit
J.Mol.Biol., 330, 2003
8TXV
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BU of 8txv by Molmil
Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 1)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-08-24
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
7PPU
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BU of 7ppu by Molmil
Structure of diFe-Sulerythrin at 0.57 MGy total absorbed dose
Descriptor: CHLORIDE ION, FE (III) ION, HYDROXIDE ION, ...
Authors:Lennartz, F, Weiss, M.S.
Deposit date:2021-09-15
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Determining the oxidation state of elements by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7PG8
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BU of 7pg8 by Molmil
NaV_Ae1/Sp1CTD_pore-ANT05 complex
Descriptor: ANT05 H12 fab fragment, heavy chain, light chain, ...
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2021-08-13
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
8U3B
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BU of 8u3b by Molmil
Cryo-EM structure of E. coli NarL-transcription activation complex at 3.2A
Descriptor: DNA (69-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Kompaniiets, D, Wang, D.
Deposit date:2023-09-07
Release date:2024-01-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural basis for transcription activation by the nitrate-responsive regulator NarL.
Nucleic Acids Res., 52, 2024
5EOF
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BU of 5eof by Molmil
Crystal structure of OPTN NTD and TBK1 CTD complex
Descriptor: Optineurin, Serine/threonine-protein kinase TBK1
Authors:Li, F, Xie, X, Liu, J, Pan, L.
Deposit date:2015-11-10
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
7PT7
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BU of 7pt7 by Molmil
Structure of MCM2-7 DH complexed with Cdc7-Dbf4 in the presence of ADP:BeF3, state I
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 7, ...
Authors:Saleh, A, Noguchi, Y, Aramayo, R, Ivanova, M.E, Speck, C.
Deposit date:2021-09-26
Release date:2022-06-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer.
Nat Commun, 13, 2022
7PT6
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BU of 7pt6 by Molmil
Structure of MCM2-7 DH complexed with Cdc7-Dbf4 in the presence of ATPgS, state III
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ...
Authors:Saleh, A, Noguchi, Y, Aramayo, R, Ivanova, M.E, Speck, C.
Deposit date:2021-09-26
Release date:2022-06-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer.
Nat Commun, 13, 2022
7PPV
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BU of 7ppv by Molmil
Structure of diFe-Sulerythrin at 2.70 MGy total absorbed dose
Descriptor: CHLORIDE ION, FE (III) ION, HYDROXIDE ION, ...
Authors:Lennartz, F, Weiss, M.S.
Deposit date:2021-09-15
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Determining the oxidation state of elements by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7PPT
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BU of 7ppt by Molmil
Structure of diFe-Sulerythrin at 0.26 MGy total absorbed dose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE (III) ION, ...
Authors:Lennartz, F, Weiss, M.S.
Deposit date:2021-09-15
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Determining the oxidation state of elements by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7PGH
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BU of 7pgh by Molmil
NaVAe1/Sp1CTDp (DDM)
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DODECAETHYLENE GLYCOL, DODECANE, ...
Authors:Lolicato, M, Arrigoni, C.
Deposit date:2021-08-14
Release date:2022-06-15
Last modified:2022-06-29
Method:X-RAY DIFFRACTION (4.194 Å)
Cite:Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022

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