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7AHX
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BU of 7ahx by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR WITH BOUND MANGANESE
Descriptor: D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-25
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7JXT
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BU of 7jxt by Molmil
Ovine COX-1 in complex with the subtype-selective derivative 2a
Descriptor: 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G.
Deposit date:2020-08-27
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021
7PY4
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BU of 7py4 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2P autoinhibited state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Dieudonne, T, Abad-Herrera, S, Juknaviciute Laursen, M, Lejeune, M, Stock, C, Slimani, K, Jaxel, C, Lyons, J.A, Montigny, C, Gunther Pomorski, T, Nissen, P, Lenoir, G.
Deposit date:2021-10-08
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Autoinhibition and regulation by phosphoinositides of ATP8B1, a human lipid flippase associated with intrahepatic cholestatic disorders.
Elife, 11, 2022
2M1S
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BU of 2m1s by Molmil
NMR assignment of the arenaviral protein Z from Lassa fever virus
Descriptor: RING finger protein Z, ZINC ION
Authors:Volpon, L, Osborne, M.J, Borden, K.L.B.
Deposit date:2012-12-06
Release date:2013-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of the Z RING-eIF4E complex reveals a distinct mode of control for eIF4E
Proc.Natl.Acad.Sci.USA, 107, 2010
2MDG
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BU of 2mdg by Molmil
Solution NMR Structure of Zinc finger protein 423 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7298F
Descriptor: ZINC ION, Zinc finger protein 423
Authors:Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-09-10
Release date:2013-09-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of Zinc finger protein 423 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7298F
To be Published
7SJX
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BU of 7sjx by Molmil
Cryo-EM Structure of the PR-RT components of the HIV-1 Pol Polyprotein
Descriptor: Gag-Pol polyprotein
Authors:Lyumkis, D, Passos, D, Arnold, E, Harrison, J.J.E.K, Ruiz, F.X.
Deposit date:2021-10-19
Release date:2022-07-27
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Cryo-EM structure of the HIV-1 Pol polyprotein provides insights into virion maturation.
Sci Adv, 8, 2022
2MFE
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BU of 2mfe by Molmil
Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL2)/RsmE(dimer) 2:1 complex
Descriptor: Carbon storage regulator homolog, SL2(RsmZ) RNA
Authors:Duss, O, Diarra Dit Konte, N, Michel, E, Schubert, M, Allain, F.H.-T.
Deposit date:2013-10-11
Release date:2014-02-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.
Nucleic Acids Res., 42, 2014
7E4W
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BU of 7e4w by Molmil
Human Transcriptional Co-activator PC4 (C-terminal Domain) in space group P1211
Descriptor: Activated RNA polymerase II transcriptional coactivator p15
Authors:Dev, A, Pandey, B, Basu, G.
Deposit date:2021-02-15
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights on the disruption of the complex between human positive coactivator 4 and p53 by small molecules.
Biochem.Biophys.Res.Commun., 578, 2021
2ZUH
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BU of 2zuh by Molmil
Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant (D297A)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
Authors:Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T.
Deposit date:2008-10-18
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant
to be published
2ZWF
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BU of 2zwf by Molmil
Crystal structure of the copper-bound tyrosinase in complex with a caddie protein from streptomyces castaneoglobisporus obtained by soaking the deoxy-form crystal in dioxygen-saturated solution for 80 minutes
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2008-12-03
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic evidence of drastic movement of a copper ion toward the substrate tyrosine for starting hydroxylation reaction of tyrosinase
To be Published
8OQZ
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BU of 8oqz by Molmil
Structure of human gamma-secretase PSEN1 APH-1B isoform reconstituted into lipid nanodisc in complex with Ab46
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Odorcic, I, Chavez Gutierrez, L, Efremov, R.G.
Deposit date:2023-04-12
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Apo and A beta 46-bound gamma-secretase structures provide insights into amyloid-beta processing by the APH-1B isoform.
Nat Commun, 15, 2024
7Q19
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BU of 7q19 by Molmil
Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#3)
Descriptor: 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ...
Authors:Loch, J.I, Barciszewski, J, Pokrywka, K, Lewinski, K.
Deposit date:2021-10-18
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine
Iucrj, 9, 2022
2MI7
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BU of 2mi7 by Molmil
Solution NMR structure of alpha3Y
Descriptor: de novo protein a3Y
Authors:Glover, S.D, Jorge, C, Liang, L, Valentine, K.G, Hammarstrom, L, Tommos, C.
Deposit date:2013-12-10
Release date:2014-08-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Photochemical tyrosine oxidation in the structurally well-defined alpha 3Y protein: proton-coupled electron transfer and a long-lived tyrosine radical.
J.Am.Chem.Soc., 136, 2014
7AO5
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BU of 7ao5 by Molmil
Crystal structure of CotB2 variant W288F
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION
Authors:Dimos, N, Driller, R, Loll, B.
Deposit date:2020-10-13
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
7DU6
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BU of 7du6 by Molmil
Crystal structure of the rationally designed mkDPBB_sym2 protein
Descriptor: mkDPBB_sym2 protein
Authors:Yagi, S, Tagami, S.
Deposit date:2021-01-08
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
7DU7
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BU of 7du7 by Molmil
Crystal structure of the rationally designed mkDPBB_sym1 protein
Descriptor: mkDPBB_sym1 protein
Authors:Yagi, S, Tagami, S.
Deposit date:2021-01-08
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
2J4O
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BU of 2j4o by Molmil
Structure of TAB1
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7-INTERACTING PROTEIN 1
Authors:van Aalten, D.
Deposit date:2006-09-01
Release date:2006-09-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tak1-Binding Protein 1 is a Pseudophosphatase.
Biochem.J., 399, 2006
2ZVW
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BU of 2zvw by Molmil
Crystal structure of Proliferating cell nuclear antigen 2 and Short peptide from human P21
Descriptor: Cyclin-dependent kinase inhibitor 1, Proliferating cell nuclear antigen 2, SULFATE ION
Authors:Strzalka, W, Oyama, T, Tori, K, Morikawa, K.
Deposit date:2008-11-21
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment
Protein Sci., 18, 2009
7SPM
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BU of 7spm by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses).
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-11-02
Release date:2021-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7DXX
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BU of 7dxx by Molmil
Crystal structure of the mk2h_deltaMILPS peptide homodimer
Descriptor: MALONIC ACID, mk2h_deltaMILPS protein
Authors:Yagi, S, Tagami, S.
Deposit date:2021-01-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.403 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
7JVH
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BU of 7jvh by Molmil
Crystal structure of a GH43_12 retrieved from capybara gut metagenome
Descriptor: GLYCEROL, Glycoside Hydrolase Family 43_12
Authors:Cabral, L, Domingues, M.N, Martins, M.P, Persinoti, G.F, Morais, M.A.B, Murakami, M.T.
Deposit date:2020-08-21
Release date:2021-09-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of a GH43_12 retrieved from capybara gut metagenome
To Be Published
7PGX
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BU of 7pgx by Molmil
Structure of dark-adapted AsLOV2 wild type
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gelfert, R, Weyand, M, Moeglich, A.
Deposit date:2021-08-16
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.001 Å)
Cite:Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
7DXZ
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BU of 7dxz by Molmil
Crystal structure of the chemically synthesized mk2h_deltaMILPYS peptide homodimer in complex with malonate
Descriptor: MALONIC ACID, mk2h_deltaMILPYS protein
Authors:Yagi, S, Tagami, S.
Deposit date:2021-01-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
2MGY
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BU of 2mgy by Molmil
Solution structure of the mitochondrial translocator protein (TSPO) in complex with its high-affinity ligand PK11195
Descriptor: N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide, Translocator protein
Authors:Jaremko, M, Jaremko, L, Giller, K, Becker, S, Zweckstetter, M.
Deposit date:2013-11-11
Release date:2014-04-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the mitochondrial translocator protein in complex with a diagnostic ligand.
Science, 343, 2014
7DVH
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BU of 7dvh by Molmil
Crystal structure of the computationally designed reDPBB_sym4 protein
Descriptor: reDPBB_sym4 protein
Authors:Yagi, S, Tagami, S, Padhi, A.K, Zhang, K.Y.J.
Deposit date:2021-01-13
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021

224004

數據於2024-08-21公開中

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