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5OOW
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BU of 5oow by Molmil
Crystal structure of lobe II from the nucleotide binding domain of DnaK in complex with AMPPCP
Descriptor: Chaperone protein DnaK, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Jakob, R.P, Bauer, D, Meinhold, S, Stigler, J, Merkel, U, Maier, T, Rief, M, Zoldak, G.
Deposit date:2017-08-09
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A folding nucleus and minimal ATP binding domain of Hsp70 identified by single-molecule force spectroscopy.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7F58
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BU of 7f58 by Molmil
Cryo-EM structure of THIQ-MC4R-Gs_Nb35 complex
Descriptor: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhang, H, Chen, L, Mao, C, Shen, Q, Yang, D, Shen, D, Qin, J.
Deposit date:2021-06-21
Release date:2021-11-03
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into ligand recognition and activation of the melanocortin-4 receptor.
Cell Res., 31, 2021
6E9D
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BU of 6e9d by Molmil
Sub-2 Angstrom Ewald Curvature-Corrected Single-Particle Cryo-EM Reconstruction of AAV-2 L336C
Descriptor: Capsid protein VP1
Authors:Tan, Y.Z, Aiyer, S, Mietzsch, M, Hull, J.A, McKenna, R, Baker, T.S, Agbandje-McKenna, M, Lyumkis, D.
Deposit date:2018-07-31
Release date:2018-08-15
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (1.86 Å)
Cite:Sub-2 angstrom Ewald curvature corrected structure of an AAV2 capsid variant.
Nat Commun, 9, 2018
7JI3
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BU of 7ji3 by Molmil
Cryo-EM structure of a proton-activated chloride channel
Descriptor: Proton-activated chloride channel
Authors:Deng, Z, Zhang, J, Yuan, P.
Deposit date:2020-07-22
Release date:2021-03-03
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Cryo-EM structure of a proton-activated chloride channel TMEM206.
Sci Adv, 7, 2021
7FIX
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BU of 7fix by Molmil
Cryo-EM structure of cyanobacterial photosystem I in the presence of ferredoxin and cytochrome c6
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, CALCIUM ION, ...
Authors:Li, J, Kurisu, G.
Deposit date:2021-08-01
Release date:2022-09-21
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (1.97 Å)
Cite:Structure of cyanobacterial photosystem I complexed with ferredoxin at 1.97 angstrom resolution.
Commun Biol, 5, 2022
6U2O
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BU of 6u2o by Molmil
Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
Deposit date:2019-08-20
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the Mutagenic Bypass of the Major Cisplatin-DNA Lesion by Human DNA Polymerase Beta Reveal Insights into Cisplatin-Induced Mutagenesis
To Be Published
6S83
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BU of 6s83 by Molmil
Crystal structure of methionine adenosyltransferase from Pyrococcus furiosus in complex with AMPPCP, SAM, and PCP
Descriptor: MAGNESIUM ION, METHYLENEDIPHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Degano, M, Minici, C, Porcelli, M.
Deposit date:2019-07-08
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.336 Å)
Cite:Structures of catalytic cycle intermediates of the Pyrococcus furiosus methionine adenosyltransferase demonstrate negative cooperativity in the archaeal orthologues.
J.Struct.Biol., 210, 2020
8B3S
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BU of 8b3s by Molmil
Structure of YjbA in complex with ClpC N-terminal Domain
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpC / Negative regulator of tic competence clcC/mecB, GLYCEROL, MAGNESIUM ION, ...
Authors:Evans, N.J, Isaacson, R.L, Camp, A.H, Collins, M.K.
Deposit date:2022-09-16
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure of YjbA in complex with ClpC N-terminal Domain
To Be Published
7A4O
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BU of 7a4o by Molmil
Structure of DYRK1A in complex with AMPNP
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Dokurno, P, Surgenor, A.E, Hubbard, R.E.
Deposit date:2020-08-20
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
8T8E
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BU of 8t8e by Molmil
cryoEM structure of Smc5/6 5mer
Descriptor: DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 6
Authors:Yu, Y, Patel, D.J.
Deposit date:2023-06-22
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8T8F
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BU of 8t8f by Molmil
Smc5/6 8mer
Descriptor: DNA repair protein KRE29, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosome element 5, ...
Authors:Yu, Y, Patel, D.J.
Deposit date:2023-06-22
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions.
Proc.Natl.Acad.Sci.USA, 120, 2023
4CQ4
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BU of 4cq4 by Molmil
C-terminal fragment of Af1503-sol: transmembrane receptor Af1503 from Archaeoglobus fulgidus engineered for solubility
Descriptor: ENGINEERED VERSION OF TRANSMEMBRANE RECEPTOR AF1503
Authors:Hartmann, M.D, Dunin-Horkawicz, S, Hulko, M, Martin, J, Coles, M, Lupas, A.N.
Deposit date:2014-02-11
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Soluble Mutant of the Transmembrane Receptor Af1503 Features Strong Changes in Coiled-Coil Periodicity.
J.Struct.Biol., 186, 2014
6UQS
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BU of 6uqs by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5LG7
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BU of 5lg7 by Molmil
Solution NMR structure of Tryptophan to Arginine mutant of Arkadia RING domain
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
Deposit date:2016-07-06
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
6IGM
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BU of 6igm by Molmil
Cryo-EM Structure of Human SRCAP Complex
Descriptor: Actin-related protein 6, Helicase SRCAP, RuvB-like 1, ...
Authors:Feng, Y, Tian, Y, Wu, Z, Xu, Y.
Deposit date:2018-09-25
Release date:2019-07-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of human SRCAP complex.
Cell Res., 28, 2018
8CNH
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BU of 8cnh by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
Authors:Steegborn, C.
Deposit date:2023-02-23
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
6UQT
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BU of 6uqt by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
8COJ
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BU of 8coj by Molmil
Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COT
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BU of 8cot by Molmil
Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
Descriptor: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
6YKF
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BU of 6ykf by Molmil
VcaM4I restriction endonuclease in the presence of 5mC-modified ssDNA
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*AP*(5CM)P*AP*G)-3'), GLYCEROL, ...
Authors:Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
Deposit date:2020-04-06
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
8P1P
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BU of 8p1p by Molmil
USP28 in complex with AZ1
Descriptor: 2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Sauer, F, Karal-Nair, R, Kisker, C.
Deposit date:2023-05-12
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:USP28 in complex with AZ1
To Be Published
6YEX
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BU of 6yex by Molmil
VcaM4I restriction endonuclease in the absence of DNA
Descriptor: CHLORIDE ION, HNH endonuclease, SULFATE ION
Authors:Pastor, M, Czapinska, H, Lutz, T, Helbrecht, I, Xu, S, Bochtler, M.
Deposit date:2020-03-25
Release date:2020-12-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA.
Nucleic Acids Res., 49, 2021
6YHW
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BU of 6yhw by Molmil
Co-crystals in the P212121 space group, of a beta-cyclodextrin spacered by triazole heptyl from alpha-D-mannose, with FimH lectin at 2.00 A resolution.
Descriptor: 2H-1,2,3-TRIAZOL-4-YLMETHANOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), FimH, ...
Authors:de Ruyck, J, Bouckaert, J.
Deposit date:2020-03-31
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:The Antiadhesive Strategy in Crohn's Disease: Orally Active Mannosides to Decolonize Pathogenic Escherichia coli from the Gut.
Chembiochem, 17, 2016
8T6R
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BU of 8t6r by Molmil
Acinetobacter baumannii 118362 family 2A cargo-loaded encapsulin shell
Descriptor: Major membrane protein I
Authors:Andreas, M.P, Benisch, R, Giessen, T.W.
Deposit date:2023-06-17
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (1.78 Å)
Cite:A widespread bacterial protein compartment sequesters and stores elemental sulfur.
Sci Adv, 10, 2024
6UQU
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BU of 6uqu by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: Beta-lactamase, CHLORIDE ION, PHENYL BORONIC ACID
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.0902 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020

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