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7R9E
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BU of 7r9e by Molmil
Methanococcus maripaludis chaperonin, open conformation 1
Descriptor: Chaperonin
Authors:Zhao, Y, Schmid, M, Frydman, J, Chiu, W.
Deposit date:2021-06-29
Release date:2021-08-11
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
3N2K
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BU of 3n2k by Molmil
TUBULIN-NSC 613862: RB3 Stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Barbier, P, Dorleans, A, Devred, F, Sanz, L, Allegro, D, Alfonso, C, Knossow, M, Peyrot, V, Andreu, J.M.
Deposit date:2010-05-18
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Stathmin and interfacial microtubule inhibitors recognize a naturally curved conformation of tubulin dimers.
J.Biol.Chem., 285, 2010
6ZYN
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BU of 6zyn by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b
Descriptor: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4000138 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
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
6D05
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BU of 6d05 by Molmil
Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; two molecules of parasite ligand, subclass 2.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H.
Deposit date:2018-04-10
Release date:2018-06-20
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
6ZD5
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BU of 6zd5 by Molmil
Crystal structure of YTHDC1 S378A mutant complex with m6A
Descriptor: N-methyladenosine, SULFATE ION, YTH domain containing 1
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2020-06-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6ZDA
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BU of 6zda by Molmil
Crystal structure of YTHDC1 M438A mutant complex with m6A
Descriptor: N-methyladenosine, SULFATE ION, YTHDC1
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2020-06-14
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
8UCI
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BU of 8uci by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8UCG
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BU of 8ucg by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K92A
Descriptor: ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8UCH
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BU of 8uch by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8UCF
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BU of 8ucf by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K238G
Descriptor: ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8SYI
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BU of 8syi by Molmil
Cyanobacterial RNAP-EC
Descriptor: DNA (37-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S.
Deposit date:2023-05-25
Release date:2023-07-05
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T5K
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BU of 8t5k by Molmil
Crystal structure of STING CTD in complex with BDW-OH
Descriptor: Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid
Authors:Li, Y, Li, P, Sun, D.
Deposit date:2023-06-13
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
8T5L
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BU of 8t5l by Molmil
Crystal structure of STING CTD in complex with 2'3'-cGAMP
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Li, Y, Li, P, Sun, D.
Deposit date:2023-06-13
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
7R65
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BU of 7r65 by Molmil
Crystal structure of a bacterial cyclic UMP synthase from Burkholderia cepacia LK29
Descriptor: Adenylate/guanylate cyclase
Authors:Morehouse, B.R, Kranzusch, P.J.
Deposit date:2021-06-22
Release date:2021-10-13
Last modified:2021-11-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cyclic CMP and cyclic UMP mediate bacterial immunity against phages.
Cell, 184, 2021
8U0P
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BU of 8u0p by Molmil
Synaptic complex of human DNA polymerase Lambda DL variant engaged on a noncomplementary DNA double-strand break
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A.
Deposit date:2023-08-29
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
1TVV
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BU of 1tvv by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
3N2G
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BU of 3n2g by Molmil
TUBULIN-NSC 613863: RB3 Stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Barbier, P, Dorleans, A, Devred, F, Sanz, L, Allegro, D, Alfonso, C, Knossow, M, Peyrot, V, Andreu, J.M.
Deposit date:2010-05-18
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Stathmin and interfacial microtubule inhibitors recognize a naturally curved conformation of tubulin dimers.
J.Biol.Chem., 285, 2010
8ELL
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BU of 8ell by Molmil
Apo human biliverdin reductase beta (cryogenic)
Descriptor: Flavin reductase (NADPH), SODIUM ION
Authors:McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle.
Front Mol Biosci, 10, 2023
8RQU
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BU of 8rqu by Molmil
Structure of TEM1 beta-lactamase variant 70.a
Descriptor: Beta-lactamase TEM-1, MAGNESIUM ION
Authors:Napier, E, Fram, B.F, Gauthier, N.P, Sander, C, Khan, A.R.
Deposit date:2024-01-19
Release date:2024-02-14
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Simultaneous enhancement of multiple functional properties using evolution-informed protein design.
Nat Commun, 15, 2024
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
7QV8
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BU of 7qv8 by Molmil
Leishmania infantum BRC1 repeat in complex with LiRAD51
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog, DNA_repair_protein_BRCA2_-_putative, ...
Authors:Pantelejevs, T, Hyvonen, M.
Deposit date:2022-01-20
Release date:2022-03-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Divergent binding mode for a protozoan BRC repeat to RAD51.
Biochem.J., 479, 2022
7QCM
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BU of 7qcm by Molmil
Structure of SARS-CoV-2 Papain-like Protease bound to N-(3-methoxy-4-hydroxy-acetophenone)thiosemicarbazone
Descriptor: CHLORIDE ION, GLYCEROL, N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone, ...
Authors:Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A.
Deposit date:2021-11-24
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
7QCK
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BU of 7qck by Molmil
Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,5-dihydroxybenzylidene)-thiosemicarbazone
Descriptor: CHLORIDE ION, GLYCEROL, N-(2,5-dihydroxybenzylidene)-thiosemicarbazone, ...
Authors:Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A.
Deposit date:2021-11-24
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
7QCI
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BU of 7qci by Molmil
Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,4-dihydroxybenzylidene)-thiosemicarbazone
Descriptor: CHLORIDE ION, GLYCEROL, N-(3,4-dihydroxybenzylidene)-thiosemicarbazone, ...
Authors:Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A.
Deposit date:2021-11-24
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022

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