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2FW3
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BU of 2fw3 by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326
Descriptor: (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE, Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-01
Release date:2007-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FMM
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BU of 2fmm by Molmil
Crystal Structure of EMSY-HP1 complex
Descriptor: Chromobox protein homolog 1, Protein EMSY, SULFATE ION
Authors:Huang, Y.
Deposit date:2006-01-09
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the HP1-EMSY complex reveals an unusual mode of HP1 binding.
Structure, 14, 2006
2FNF
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BU of 2fnf by Molmil
C1 domain of Nore1
Descriptor: ZINC ION, putative Ras Effector Nore1
Authors:Harjes, E, Harjes, S, Wohlgemuth, S, Krieger, E, Herrmann, C, Muller, K.H, Bayer, P.
Deposit date:2006-01-11
Release date:2006-02-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:GTP-Ras disrupts the intramolecular complex of C1 and RA domains of Nore1.
Structure, 14, 2006
2FR1
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BU of 2fr1 by Molmil
The first ketoreductase of the erythromycin synthase (crystal form 2)
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, erythromycin synthase, EryAI
Authors:Keatinge-Clay, A.T, Stroud, R.M.
Deposit date:2006-01-18
Release date:2006-04-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Structure of a Ketoreductase Determines the Organization of the beta-Carbon Processing Enzymes of Modular Polyketide Synthases
Structure, 14, 2006
2FMP
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BU of 2fmp by Molmil
DNA Polymerase beta with a terminated gapped DNA substrate and ddCTP with sodium in the catalytic site
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Krahn, J.M, Pedersen, L.C, Wilson, S.H.
Deposit date:2006-01-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Magnesium-induced assembly of a complete DNA polymerase catalytic complex.
Structure, 14, 2006
2FYV
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BU of 2fyv by Molmil
Golgi alpha-mannosidase II complex with an amino-salacinol carboxylate analog
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-L-GULONIC ACID, ...
Authors:Kuntz, D.A, Hamlet, T, Rose, D.R.
Deposit date:2006-02-08
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis, enzymatic activity, and X-ray crystallography of an unusual class of amino acids.
Bioorg.Med.Chem., 14, 2006
2G0B
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BU of 2g0b by Molmil
The structure of FeeM, an N-acyl amino acid synthase from uncultured soil microbes
Descriptor: FeeM, N-DODECANOYL-L-TYROSINE
Authors:Van Wagoner, R.M, Clardy, J.
Deposit date:2006-02-11
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:FeeM, an N-Acyl Amino Acid Synthase from an Uncultured Soil Microbe: Structure, Mechanism, and Acyl Carrier Protein Binding.
Structure, 14, 2006
5LV9
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BU of 5lv9 by Molmil
Crystal structure of thermophilic tryptophan halogenase (Th-Hal) enzyme from Streptomycin violaceusniger.
Descriptor: thermophilic tryptophan halogenase
Authors:Dunstan, M.S, Menon, B.
Deposit date:2016-09-13
Release date:2016-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymes.
Org.Biomol.Chem., 14, 2016
5LK4
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BU of 5lk4 by Molmil
Structure of the Red Fluorescent Protein mScarlet at pH 7.8
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Aumonier, S, Gotthard, G, Royant, A.
Deposit date:2016-07-20
Release date:2016-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:mScarlet: a bright monomeric red fluorescent protein for cellular imaging.
Nat. Methods, 14, 2017
6OGE
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BU of 6oge by Molmil
Cryo-EM structure of Her2 extracellular domain-Trastuzumab Fab-Pertuzumab Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab FAB HEAVY CHAIN, Pertuzumab FAB LIGHT CHAIN, ...
Authors:Hao, Y, Yu, X, Bai, Y, Huang, X.
Deposit date:2019-04-02
Release date:2019-05-15
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Cryo-EM Structure of HER2-trastuzumab-pertuzumab complex.
Plos One, 14, 2019
5LO5
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BU of 5lo5 by Molmil
HSP90 WITH indole derivative
Descriptor: 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile, Heat shock protein HSP 90-alpha
Authors:Graedler, U, Amaral, M.
Deposit date:2016-08-08
Release date:2017-11-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
6OPU
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BU of 6opu by Molmil
HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
6OPY
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BU of 6opy by Molmil
HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
5EP0
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BU of 5ep0 by Molmil
Quorum-Sensing Signal Integrator LuxO - Receiver+Catalytic Domains
Descriptor: 1,2-ETHANEDIOL, Putative repressor protein luxO, SULFATE ION
Authors:Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
Deposit date:2015-11-11
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
5EP2
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BU of 5ep2 by Molmil
Quorum-Sensing Signal Integrator LuxO - Catalytic Domain in Complex with AzaU Inhibitor
Descriptor: 2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{H}-1,2,4-triazin-6-yl]sulfanyl]ethanoate, ACETATE ION, Putative repressor protein luxO
Authors:Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
Deposit date:2015-11-11
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.421 Å)
Cite:Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
5EFQ
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BU of 5efq by Molmil
Crystal structure of human Cdk13/Cyclin K in complex with ADP-aluminum fluoride
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin-K, ...
Authors:Hoenig, D, Greifenberg, A.K, Anand, K, Geyer, M.
Deposit date:2015-10-24
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Analysis of the Cdk13/Cyclin K Complex.
Cell Rep, 14, 2016
5EP1
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BU of 5ep1 by Molmil
Quorum-Sensing Signal Integrator LuxO - Catalytic Domain
Descriptor: ACETATE ION, Putative repressor protein luxO
Authors:Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
Deposit date:2015-11-11
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
5EP4
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BU of 5ep4 by Molmil
Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
Deposit date:2015-11-11
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
8DH4
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BU of 8dh4 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa-DsTP pair
Descriptor: (7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine, MAGNESIUM ION, Non-template strand DNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH3
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BU of 8dh3 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa
Descriptor: Non-template strand DNA, RNA, T7 RNA polymerase, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH1
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BU of 8dh1 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair
Descriptor: 1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde, GLYCEROL, MAGNESIUM ION, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH0
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BU of 8dh0 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs
Descriptor: GLYCEROL, Non-template strand DNA, RNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH5
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BU of 8dh5 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa-ATP mismatch
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-template strand DNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH2
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BU of 8dh2 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs-ATP mismatch
Descriptor: GLYCEROL, MAGNESIUM ION, Non-template strand DNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DJG
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BU of 8djg by Molmil
ADGRL3-lectin domain in complex with an activating synthetic antibody fragment
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ...
Authors:Kordon, S.P, Bandekar, S.J, Arac, D.
Deposit date:2022-06-30
Release date:2023-02-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder.
Nat Commun, 14, 2023

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