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6DC5
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BU of 6dc5 by Molmil
RSV prefusion F in complex with AM22 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Jones, H.G, McLellan, J.S.
Deposit date:2018-05-04
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
4MUI
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BU of 4mui by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-methoxyphenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
6DIC
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BU of 6dic by Molmil
D276G DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog
Descriptor: 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, CHLORIDE ION, ...
Authors:Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A.
Deposit date:2018-05-23
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
7NS0
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BU of 7ns0 by Molmil
Bacilladnavirus capsid structure
Descriptor: Capsid protein VP2
Authors:Munke, A, Okamoto, K.
Deposit date:2021-03-05
Release date:2022-07-20
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Primordial Capsid and Spooled ssDNA Genome Structures Unravel Ancestral Events of Eukaryotic Viruses.
Mbio, 13, 2022
4N9O
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BU of 4n9o by Molmil
Probing the N-terminal beta-sheet conversion in the crystal structure of the human prion protein bound to a Nanobody
Descriptor: Major prion protein, Nanobody Nb484
Authors:Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J.
Deposit date:2013-10-21
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody.
J.Am.Chem.Soc., 136, 2014
4MV6
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BU of 4mv6 by Molmil
Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with Phosphonoacetamide
Descriptor: 1,2-ETHANEDIOL, Biotin carboxylase, PHOSPHONOACETAMIDE
Authors:Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L.
Deposit date:2013-09-23
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
7NWE
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BU of 7nwe by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 10
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7QHO
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BU of 7qho by Molmil
Cytochrome bcc-aa3 supercomplex (respiratory supercomplex III2/IV2) from Corynebacterium glutamicum (as isolated)
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Kao, W.-C, Hunte, C.
Deposit date:2021-12-13
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for safe and efficient energy conversion in a respiratory supercomplex
Nature Communications, 13, 2022
6DJB
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BU of 6djb by Molmil
Structure of human Volume Regulated Anion Channel composed of SWELL1 (LRRC8A)
Descriptor: Volume-regulated anion channel subunit LRRC8A
Authors:Kefauver, J.M, Saotome, K, Pallesen, J, Cottrell, C.A, Ward, A.B, Patapoutian, A.
Deposit date:2018-05-24
Release date:2018-08-15
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure of the human volume regulated anion channel.
Elife, 7, 2018
8U6C
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BU of 8u6c by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acetamide (JLJ732), a non-nucleoside inhibitor
Descriptor: 2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-09-13
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
4MWQ
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BU of 4mwq by Molmil
Anhui N9-oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
7O9T
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BU of 7o9t by Molmil
Crystal structure of Human Menin in apo form
Descriptor: 1,2-ETHANEDIOL, Menin
Authors:Groves, M.R, Gao, K.
Deposit date:2021-04-17
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Crystal structure of Human Menin in apo form
To Be Published
7QHM
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BU of 7qhm by Molmil
Cytochrome bcc-aa3 supercomplex (respiratory supercomplex III2/IV2) from Corynebacterium glutamicum (stigmatellin and azide bound)
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, AZIDE ION, ...
Authors:Kao, W.-C, Hunte, C.
Deposit date:2021-12-13
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for safe and efficient energy conversion in a respiratory supercomplex.
Nat Commun, 13, 2022
6GM9
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BU of 6gm9 by Molmil
Human Carbonic Anhydrase II in complex with 4-Methylbenzenesulfonamide
Descriptor: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2018-05-24
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.089 Å)
Cite:Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
4NAH
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BU of 4nah by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT)
Descriptor: 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
6GMZ
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BU of 6gmz by Molmil
Staphylopine dehydrogenase in complex with Histidine tag and citrate
Descriptor: ALA-HIS-HIS-ALA, AMMONIUM ION, CITRIC ACID, ...
Authors:Hajjar, C, Arnoux, P.
Deposit date:2018-05-29
Release date:2019-04-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis.
J.Am.Chem.Soc., 141, 2019
4MXJ
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BU of 4mxj by Molmil
Thermolysin in complex with UBTLN35
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2013-09-26
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors.
Chemmedchem, 4, 2014
6DM6
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BU of 6dm6 by Molmil
Structure of DNA polymerase III subunit beta from Rickettsia conorii in complex with a natural product
Descriptor: Beta sliding clamp, Natural product peptide
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-06-04
Release date:2019-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of DNA polymerase III subunit beta from Rickettsia conorii in complex with a natural product
to be published
4MY7
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BU of 4my7 by Molmil
frog M ferritin iron-loaded under anaerobic environment
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-09-27
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
6DMN
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BU of 6dmn by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soaked in 2 mM Ca2+ and 200 mM K+ at 21 C
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-05
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
4NAZ
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BU of 4naz by Molmil
Crystal Structure of FosB from Staphylococcus aureus with Zn and Sulfate at 1.15 Angstrom Resolution
Descriptor: GLYCEROL, Metallothiol transferase FosB, SULFATE ION, ...
Authors:Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Cook, P.D, Armstrong, R.N.
Deposit date:2013-10-22
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014
8TRG
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BU of 8trg by Molmil
Structure of full-length LexA bound to a RecA filament
Descriptor: DNA (27-MER), LexA repressor, MAGNESIUM ION, ...
Authors:Cory, M.B, Li, A, Kohli, R.M.
Deposit date:2023-08-09
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:The LexA-RecA* structure reveals a cryptic lock-and-key mechanism for SOS activation.
Nat.Struct.Mol.Biol., 2024
6GV9
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BU of 6gv9 by Molmil
Structure of the type IV pilus from enterohemorrhagic Escherichia coli (EHEC)
Descriptor: Prepilin peptidase-dependent protein D
Authors:Bardiaux, B, Amorim, G.C, Luna-Rico, A, Zheng, W, Guilvout, I, Jollivet, C, Nilges, M, Egelman, E, Francetic, O, Izadi-Pruneyre, N.
Deposit date:2018-06-20
Release date:2019-05-15
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.
Structure, 27, 2019
3W3M
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BU of 3w3m by Molmil
Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 2
Descriptor: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2012-12-22
Release date:2013-04-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
6DMW
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BU of 6dmw by Molmil
Calmodulin-bound full-length rbTRPV5
Descriptor: CALCIUM ION, Calmodulin-1, Transient receptor potential cation channel subfamily V member 5
Authors:Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2018-06-05
Release date:2018-10-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural insights on TRPV5 gating by endogenous modulators.
Nat Commun, 9, 2018

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數據於2024-09-25公開中

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