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8FOR
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BU of 8for by Molmil
Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase KE70-core
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
To Be Published
8TFX
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BU of 8tfx by Molmil
tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with 2',5'-ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-2'-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2023-07-12
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
6F4P
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BU of 6f4p by Molmil
Human JMJD5 in complex with MN, NOG and RPS6 (129-144) (complex-1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, JmjC domain-containing protein 5, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F6T
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BU of 6f6t by Molmil
Phenylalanine ammonia-lyase (PAL) from Petroselinum crispum complexed with S-APPA
Descriptor: (S)-(1-amino-2phenylallyl)phosphonic acid, Phenylalanine ammonia-lyase 1
Authors:Bata, Z, Leveles, I, Vertessy, G.B, Poppe, L.
Deposit date:2017-12-06
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89995968 Å)
Cite:Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes
Acs Catalysis, 2021
4LE0
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BU of 4le0 by Molmil
Crystal structure of the receiver domain of DesR in complex with beryllofluoride and magnesium
Descriptor: ACETATE ION, BERYLLIUM TRIFLUORIDE ION, GLYCEROL, ...
Authors:Trajtenberg, F, Larrieux, N, Buschiazzo, A.
Deposit date:2013-06-25
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Allosteric activation of bacterial response regulators: the role of the cognate histidine kinase beyond phosphorylation.
MBio, 5, 2014
7OR4
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BU of 7or4 by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142
Descriptor: Dipeptidyl peptidase 8, methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate, trimethylamine oxide
Authors:Ross, B, Huber, R.
Deposit date:2021-06-04
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
8TFY
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BU of 8tfy by Molmil
tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with NADP
Descriptor: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable RNA 2'-phosphotransferase
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2023-07-12
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
7OLE
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BU of 7ole by Molmil
Cryo-EM structure of the TELO2-TTI1-TTI2-RUVBL1-RUVBL2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2, ...
Authors:Pal, M, Llorca, O, Pearl, L.
Deposit date:2021-05-19
Release date:2021-07-07
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structure of the TELO2-TTI1-TTI2 complex and its function in TOR recruitment to the R2TP chaperone.
Cell Rep, 36, 2021
7OZ7
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BU of 7oz7 by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84
Descriptor: Dipeptidyl peptidase 8, trimethylamine oxide, ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
Authors:Ross, B, Huber, R.
Deposit date:2021-06-26
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
6F6B
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BU of 6f6b by Molmil
R2-like ligand-binding oxidase A171F mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, Ribonucleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019
7OW0
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BU of 7ow0 by Molmil
1.55 A crystal structure of DNA/2'-O-methyl-RNA heteroduplex with overhangs solved by Zn-SAD.
Descriptor: DNA (5'-D(*TP*CP*TP*CP*CP*TP*AP*GP*G)-3'), RNA (5'-R(*(OMC)P*(OMU)P*(A2M)P*(OMG)P*(OMG)P*(A2M)P*(OMG)P*(A2M)P*(OMC))-3'), ZINC ION
Authors:Dolot, R.M, Maciaszek, A, Nawrot, B.C.
Deposit date:2021-06-15
Release date:2021-07-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First High-Resolution Crystal Structures of DNA:2'-O-Methyl-RNA Heteroduplexes
Crystals, 2022
7OXS
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BU of 7oxs by Molmil
1.91 A crystal structure of DNA/2'-O-methyl-RNA heteroduplex
Descriptor: DNA (5'-D(*GP*TP*CP*TP*CP*CP*TP*AP*G)-3'), RNA (5'-R(*(OMC)P*(OMU)P*(A2M)P*(OMG)P*(OMG)P*(A2M)P*(OMG)P*(A2M)P*(OMC))-3'), SULFATE ION
Authors:Dolot, R.M, Maciaszek, A, Nawrot, B.C.
Deposit date:2021-06-23
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:First High-Resolution Crystal Structures of DNA:2'-O-Methyl-RNA Heteroduplexes
Crystals, 2022
8FTA
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BU of 8fta by Molmil
Crystal Structure of the second bromodomain of human Polybromo-1 (PB1) in complex with compound 16
Descriptor: (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one, Protein polybromo-1, ZINC ION
Authors:Nunez, R, Smith, B.C.
Deposit date:2023-01-11
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of the second bromodomain of human Polybromo-1 (PB1) in complex with compound 16
To Be Published
6F9K
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BU of 6f9k by Molmil
Tryptophan Repressor TrpR from E.coli with 5-methyl-L-tryptophan as ligand
Descriptor: 5-methyl-L-tryptophan, SULFATE ION, Trp operon repressor
Authors:Stiel, A.C, Shanmugaratnam, S, Hocker, B.
Deposit date:2017-12-14
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Tryptophan Repressor TrpR from E.coli: A ligand binding study
To Be Published
4LIW
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BU of 4liw by Molmil
CcmK1 Carboxysome Shell Protein from Synechocystis PCC6803, L11K Point Mutant
Descriptor: Carbon dioxide-concentrating mechanism protein CcmK homolog 1, SULFATE ION
Authors:Thompson, M.C, Yeates, T.O.
Deposit date:2013-07-03
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A challenging interpretation of a hexagonally layered protein structure.
Acta Crystallogr.,Sect.D, 70, 2014
6F8L
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BU of 6f8l by Molmil
Thermus thermophilus PilF ATPase (AMPPNP-bound form)
Descriptor: Type IV pilus assembly protein PilF
Authors:Derrick, J.P, Collins, R.F.
Deposit date:2017-12-13
Release date:2018-08-01
Last modified:2018-10-24
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structural cycle of the Thermus thermophilus PilF ATPase: the powering of type IVa pilus assembly.
Sci Rep, 8, 2018
8FO9
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BU of 8fo9 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 tetramer state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Zhu, H, Sun, J.
Deposit date:2022-12-30
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
7ORF
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BU of 7orf by Molmil
Crystal structure of JNK3 in complex with FMU-001-367 (compound 1)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 10, ...
Authors:Chaikuad, A, Koch, P, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-06-05
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Angew.Chem.Int.Ed.Engl., 60, 2021
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
4LO0
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BU of 4lo0 by Molmil
Apo HA17-HA33
Descriptor: HA-17, HA-33
Authors:Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
8TNS
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BU of 8tns by Molmil
Solution structure of poly(UG) RNA (GU)12 G-quadruplex
Descriptor: RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*U)-3')
Authors:Escobar, C.A, Petersen, R, Butcher, S.E.
Deposit date:2023-08-02
Release date:2023-11-15
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution Structure of Poly(UG) RNA.
J.Mol.Biol., 435, 2023
4LAP
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BU of 4lap by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP114
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-20
Release date:2014-12-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
7P18
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BU of 7p18 by Molmil
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Sterolibacterium denitrificans in complex with 1,4-androstadiene-3,17-dione
Descriptor: 3-oxosteroid 1-dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, DI(HYDROXYETHYL)ETHER, ...
Authors:Wojcik, P, Mrugala, B, Kurpiewska, K, Szaleniec, M.
Deposit date:2021-07-01
Release date:2021-07-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure, Mutagenesis, and QM:MM Modeling of 3-Ketosteroid Delta 1 -Dehydrogenase from Sterolibacterium denitrificans ─The Role of a New Putative Membrane-Associated Domain and Proton-Relay System in Catalysis.
Biochemistry, 62, 2023
4LNF
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BU of 4lnf by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of GS-Q
Descriptor: GLUTAMINE, Glutamine synthetase, MAGNESIUM ION, ...
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.949 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
7P7X
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BU of 7p7x by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis (holo form).
Descriptor: ACETATE ION, Aminotransferase class IV, PHOSPHATE ION, ...
Authors:Boyko, K.M, Nikolaeva, A.Y, Bakunova, A.K, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O.
Deposit date:2021-07-20
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Uncommon Active Site of D-Amino Acid Transaminase from Haliscomenobacter hydrossis : Biochemical and Structural Insights into the New Enzyme.
Molecules, 26, 2021

224004

數據於2024-08-21公開中

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