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4CM3
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BU of 4cm3 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
7TIC
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BU of 7tic by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-13
Release date:2022-02-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
6ODG
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BU of 6odg by Molmil
SVQIVY, Crystal Structure of a tau protein fragment
Descriptor: Microtubule-associated protein tau
Authors:Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Seidler, P.M.
Deposit date:2019-03-26
Release date:2019-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples.
J.Biol.Chem., 294, 2019
7THJ
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BU of 7thj by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
Deposit date:2022-01-11
Release date:2022-02-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
6OS6
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BU of 6os6 by Molmil
Crystal structure of CymD prenyltransferase complexed with L-tryptophan and DMSPP
Descriptor: BENZOIC ACID, CHLORIDE ION, CymD prenyltransferase, ...
Authors:Roose, B.W, Christianson, D.W.
Deposit date:2019-05-01
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
7TZJ
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BU of 7tzj by Molmil
SARS CoV-2 PLpro in complex with inhibitor 3k
Descriptor: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
Authors:Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
6OX0
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BU of 6ox0 by Molmil
SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6B5H
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BU of 6b5h by Molmil
ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6O4O
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BU of 6o4o by Molmil
The structure of human interleukin 11
Descriptor: CHLORIDE ION, Interleukin-11, SULFATE ION
Authors:Metcalfe, R.D, Griffin, M.D.W.
Deposit date:2019-02-28
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The structure of the extracellular domains of human interleukin 11 alpha receptor reveals mechanisms of cytokine engagement.
J.Biol.Chem., 295, 2020
6OR8
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BU of 6or8 by Molmil
An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase
Descriptor: 2-hydroxy-N-[(1S)-1-hydroxy-3-oxopropyl]-L-aspartic acid, IRON/SULFUR CLUSTER, PHOSPHATE ION, ...
Authors:Esakova, O.A, Grove, T.L, Yennawar, N.H, Booker, S.J.
Deposit date:2019-04-29
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
Descriptor: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
7C79
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BU of 7c79 by Molmil
Cryo-EM structure of yeast Ribonuclease MRP
Descriptor: MAGNESIUM ION, RNases MRP/P 32.9 kDa subunit, Ribonuclease MRP RNA subunit NME1, ...
Authors:Lan, P, Wu, J, Lei, M.
Deposit date:2020-05-24
Release date:2020-07-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural insight into precursor ribosomal RNA processing by ribonuclease MRP.
Science, 369, 2020
7CCS
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BU of 7ccs by Molmil
Consensus mutated xCT-CD98hc complex
Descriptor: 4F2 cell-surface antigen heavy chain, Consensus mutated Anionic Amino Acid Transporter Light Chain, Xc- System
Authors:Oda, K, Lee, Y, Takemoto, M, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2020-06-17
Release date:2020-12-09
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Consensus mutagenesis approach improves the thermal stability of system x c - transporter, xCT, and enables cryo-EM analyses.
Protein Sci., 29, 2020
7CM4
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BU of 7cm4 by Molmil
Crystal Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody CT-P59
Descriptor: 1,2-ETHANEDIOL, IgG heavy chain, IgG light chain, ...
Authors:Kim, Y.G, Jeong, J.H, Bae, J.S, Lee, J.
Deposit date:2020-07-24
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:A therapeutic neutralizing antibody targeting receptor binding domain of SARS-CoV-2 spike protein.
Nat Commun, 12, 2021
1TYR
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BU of 1tyr by Molmil
TRANSTHYRETIN COMPLEX WITH RETINOIC ACID
Descriptor: (9cis)-retinoic acid, TRANSTHYRETIN
Authors:Zanotti, G, D'Acunto, M.R, Malpeli, G, Folli, C, Berni, R.
Deposit date:1995-05-12
Release date:1995-09-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the transthyretin--retinoic-acid complex
Eur.J.Biochem., 234, 1995
7TJ8
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BU of 7tj8 by Molmil
Cryo-EM structure of the human Nax channel in complex with beta3 solved in nanodiscs
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J.
Deposit date:2022-01-14
Release date:2022-03-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
6O5K
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BU of 6o5k by Molmil
Murine TRIM28 Bbox1 domain
Descriptor: Transcription intermediary factor 1-beta, ZINC ION
Authors:Sun, Y, Keown, J.R, Goldstone, D.C.
Deposit date:2019-03-03
Release date:2019-06-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Dissection of Oligomerization by the TRIM28 Tripartite Motif and the Interaction with Members of the Krab-ZFP Family.
J.Mol.Biol., 431, 2019
6BFS
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BU of 6bfs by Molmil
The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies
Descriptor: Fab Heavy Chain, Fab light Chain, Granulocyte-macrophage colony-stimulating factor
Authors:Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W.
Deposit date:2017-10-26
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities.
MAbs, 10, 2018
7TJ9
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BU of 7tj9 by Molmil
Cryo-EM structure of the human Nax channel in complex with beta3 solved in GDN
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Noland, C.L, Kschonsak, M, Ciferri, C, Payandeh, J.
Deposit date:2022-01-14
Release date:2022-03-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Nat Commun, 13, 2022
6OMP
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BU of 6omp by Molmil
Crystal structure of apo PtmU3
Descriptor: ACETATE ION, MANGANESE (II) ION, PtmU3
Authors:Liu, Y.C, Dong, L.B, Shen, B.
Deposit date:2019-04-19
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
7CPM
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BU of 7cpm by Molmil
CRYSTAL STRUCTURE OF DODECAPRENYL DIPHOSPHATE SYNTHASE FROM THERMOBIFIDA FUSCA
Descriptor: Trans,polycis-polyprenyl diphosphate synthase ((2Z,6E)-farnesyl diphosphate specific)
Authors:Kurokawa, H, Ambo, T, Takahashi, S, Koyama, T.
Deposit date:2020-08-07
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Thermobifida fusca cis-prenyltransferase reveals the dynamic nature of its RXG motif-mediated inter-subunit interactions critical for its catalytic activity.
Biochem.Biophys.Res.Commun., 532, 2020
6OS5
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BU of 6os5 by Molmil
Crystal structure of CymD prenyltransferase complexed with L-tryptophan
Descriptor: BENZOIC ACID, CymD prenyltransferase, DIPHOSPHATE, ...
Authors:Roose, B.W, Christianson, D.W.
Deposit date:2019-05-01
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
7CPN
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BU of 7cpn by Molmil
CRYSTAL STRUCTURE OF DODECAPRENYL DIPHOSPHATE SYNTHASE FROM THERMOBIFIDA FUSCA
Descriptor: GLYCEROL, SULFATE ION, Trans,polycis-polyprenyl diphosphate synthase ((2Z,6E)-farnesyl diphosphate specific)
Authors:Kurokawa, H, Ambo, T, Takahasi, S, Koyama, T.
Deposit date:2020-08-07
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of Thermobifida fusca cis-prenyltransferase reveals the dynamic nature of its RXG motif-mediated inter-subunit interactions critical for its catalytic activity.
Biochem.Biophys.Res.Commun., 532, 2020
4ED3
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BU of 4ed3 by Molmil
Human DNA polymerase eta - DNA ternary complex: AT crystal at pH 7.5 (Na+ HEPES) with 1 Ca2+ ion
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Nakamura, T, Zhao, Y, Yang, W.
Deposit date:2012-03-26
Release date:2012-07-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018

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