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6Y8L
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BU of 6y8l by Molmil
Mycobacterium thermoresistibile GyrB21 in complex with novobiocin
Descriptor: 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN, ...
Authors:Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A.
Deposit date:2020-03-05
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
7ABR
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BU of 7abr by Molmil
Cryo-EM structure of B. subtilis ClpC (DWB mutant) hexamer bound to a substrate polypeptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Negative regulator of genetic competence ClpC/MecB, ...
Authors:Morreale, F.E, Meinhart, A, Haselbach, D, Clausen, T.
Deposit date:2020-09-08
Release date:2021-10-06
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:BacPROTACs mediate targeted protein degradation in bacteria.
Cell, 185, 2022
6ODI
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BU of 6odi by Molmil
Structure of CagY from a cryo-EM reconstruction of a T4SS
Descriptor: Type IV secretion system apparatus protein CagY
Authors:Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D.
Deposit date:2019-03-26
Release date:2019-07-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
7ADQ
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BU of 7adq by Molmil
Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata
Descriptor: Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Moreno-Chicano, T.M, Ebrahim, A.E, Srajer, V, Henning, R.W, Doak, B.C, Trebbin, M, Monteiro, D.C.F, Hough, M.A.
Deposit date:2020-09-15
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
6YCE
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BU of 6yce by Molmil
Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ...
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-03-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6YDD
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BU of 6ydd by Molmil
X-ray structure of LPMO.
Descriptor: COPPER (II) ION, LPMO lytic polysaccharide monooxygenase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L.
Deposit date:2020-03-20
Release date:2020-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases.
Biochemistry, 59, 2020
7UXZ
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BU of 7uxz by Molmil
Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain complexed with Chicoric acid
Descriptor: (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E.
Deposit date:2022-05-06
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.733 Å)
Cite:Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor.
Sci Rep, 12, 2022
6YHL
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BU of 6yhl by Molmil
Crystal structure of CNFy from Yersinia pseudotuberculosis - N-terminal fragment comprising residues 1-704
Descriptor: Cytotoxic necrotizing factor
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.277 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
6ZZ6
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BU of 6zz6 by Molmil
Cryo-EM structure of S.cerevisiae cohesin-Scc2-DNA complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (34-MER), MAGNESIUM ION, ...
Authors:Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Nasmyth, K.A, Lowe, J.
Deposit date:2020-08-04
Release date:2020-09-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Transport of DNA within cohesin involves clamping on top of engaged heads by Scc2 and entrapment within the ring by Scc3.
Elife, 9, 2020
7UM8
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BU of 7um8 by Molmil
Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
Descriptor: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-06
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
6WKW
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BU of 6wkw by Molmil
EM structure of CtBP2 with a minimal dehydrogenase domain of CtBP2
Descriptor: C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jecrois, A.M.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of CtBP2 confirms tetrameric architecture.
Structure, 29, 2021
7UMY
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BU of 7umy by Molmil
Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
Descriptor: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-08
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7PIK
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BU of 7pik by Molmil
Cryo-EM structure of E. coli TnsB in complex with right end fragment of Tn7 transposon
Descriptor: Right end fragment of Tn7 transposon, Transposon Tn7 transposition protein TnsB
Authors:Kaczmarska, Z, Czarnocki-Cieciura, M, Rawski, M, Nowotny, M.
Deposit date:2021-08-20
Release date:2022-06-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structural basis of transposon end recognition explains central features of Tn7 transposition systems.
Mol.Cell, 82, 2022
8QG0
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BU of 8qg0 by Molmil
Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 17 nt RNA guide and 17 nt DNA target
Descriptor: AfAgo-N protein, DNA target 17 nt, Piwi protein, ...
Authors:Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Zagorskaite, E, Silanskas, A.
Deposit date:2023-09-05
Release date:2024-01-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
6ZPU
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BU of 6zpu by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain with inserted symmetry molecule C-terminus.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2020-07-09
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
6PS0
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BU of 6ps0 by Molmil
XFEL beta2 AR structure by ligand exchange from Alprenolol to Carazolol.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, ...
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6WU0
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BU of 6wu0 by Molmil
CryoEM structure of Burkholderia pseudomallei hopanoid biosynthesis-associated RND transporter HpnN
Descriptor: Hopanoid biosynthesis associated RND transporter like protein HpnN
Authors:Lyu, M, Yu, E.W.
Deposit date:2020-05-04
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
6WVR
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BU of 6wvr by Molmil
Tubulin dimers from a 13-protofilament, Taxol stabilized microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V.
Deposit date:2020-05-06
Release date:2020-05-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
5N8J
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BU of 5n8j by Molmil
CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE D-amino acid containing peptide GyGlanvdessG
Descriptor: GLY-DTY-GLY-DLE-DAL-DSG-DVA-DAS-DGL-DSN-DSN-GLY, ISOPROPYL ALCOHOL, Streptavidin
Authors:Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
Deposit date:2017-02-23
Release date:2017-10-25
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
6Z69
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BU of 6z69 by Molmil
A novel metagenomic alpha/beta-fold esterase
Descriptor: 7-hydroxy-4-methyl-2H-chromen-2-one, Acetyl esterase/lipase, MAGNESIUM ION, ...
Authors:Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J.
Deposit date:2020-05-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
8BU8
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BU of 8bu8 by Molmil
Double-motif Single-stranded Paranemic Crossover RNA Triangle (2PXT)
Descriptor: RNA (354-MER)
Authors:Sampedro, N, Andersen, E.S, McRae, E.K.S.
Deposit date:2022-11-30
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (6.56 Å)
Cite:An RNA Paranemic Crossover Triangle as A 3D Module for Cotranscriptional Nanoassembly.
Small, 19, 2023
6Z1H
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BU of 6z1h by Molmil
Ancestral glycosidase (family 1)
Descriptor: ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
Deposit date:2020-05-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
6PLT
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BU of 6plt by Molmil
CryoEM structure of zebra fish alpha-1 glycine receptor bound with taurine in nanodisc, closed state
Descriptor: 2-AMINOETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, ...
Authors:Yu, J, Zhu, H, Gouaux, E.
Deposit date:2019-07-01
Release date:2021-01-06
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
6Z32
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BU of 6z32 by Molmil
Human cation-independent mannose 6-phosphate/IGF2 receptor domains 7-11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, SULFATE ION, ...
Authors:Bochel, A.J, Williams, C, McCoy, A.J, Hoppe, H, Winter, A.J, Nicholls, R.D, Harlos, K, Jones, Y.E, Berger, I, Hassan, B, Crump, M.P.
Deposit date:2020-05-19
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Structure of the Human Cation-Independent Mannose 6-Phosphate/IGF2 Receptor Domains 7-11 Uncovers the Mannose 6-Phosphate Binding Site of Domain 9.
Structure, 28, 2020
7ZQN
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BU of 7zqn by Molmil
d(CGCGCG)2 Z-DNA AT 5400 BARS (540 MPa)
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Prange, T, Colloc'h, N, Girard, E.
Deposit date:2022-05-01
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Behavior of B- and Z-DNA Crystals under High Hydrostatic Pressure
Crystals, 2022

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數據於2024-10-16公開中

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