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3W6E
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BU of 3w6e by Molmil
Crystal structure of catalytic domain of chitinase from Ralstonia sp. A-471 (E162Q)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme-like chitinolytic enzyme
Authors:Arimori, T, Kawamoto, N, Okazaki, N, Nakazawa, M, Miyatake, K, Fukamizo, T, Ueda, M, Tamada, T.
Deposit date:2013-02-14
Release date:2013-05-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structures of the Catalytic Domain of a Novel Glycohydrolase Family 23 Chitinase from Ralstonia sp. A-471 Reveals a Unique Arrangement of the Catalytic Residues for Inverting Chitin Hydrolysis
J.Biol.Chem., 288, 2013
7P4S
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BU of 7p4s by Molmil
BROMODOMAIN OF HUMAN TAF1 (2) WITH naphthyridinone compound
Descriptor: 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one, Isoform 2a of Transcription initiation factor TFIID subunit 1
Authors:Chung, C.
Deposit date:2021-07-13
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Optimization of Naphthyridones into Selective TATA-Binding Protein Associated Factor 1 (TAF1) Bromodomain Inhibitors.
Acs Med.Chem.Lett., 12, 2021
8TOP
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BU of 8top by Molmil
Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with antibody GPZ6-b.01 targeting the fusion peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 BG505 DS-SOSIP glycoprotein gp41, ...
Authors:Zhou, T, Morano, N.C, Roark, R.S, Kwong, P.D.
Deposit date:2023-08-03
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with antibody GPZ6-b.01 targeting the fusion peptide
To Be Published
7PA4
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BU of 7pa4 by Molmil
Crystal structure of CD73 in complex with CMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-28
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
6GTD
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BU of 6gtd by Molmil
Transient state structure of CRISPR-Cpf1 (Cas12a) I2 conformation
Descriptor: CRISPR-associated endonuclease Cas12a, DNA (5'-D(P*CP*GP*AP*GP*CP*TP*CP*GP*TP*TP*AP*GP*AP*GP*AP*AP*GP*T)-3'), DNA (5'-D(P*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*AP*AP*CP*AP*AP*GP*CP*TP*CP*G)-3'), ...
Authors:Montoya, G, Mesa, P.
Deposit date:2018-06-18
Release date:2018-12-19
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Conformational Activation Promotes CRISPR-Cas12a Catalysis and Resetting of the Endonuclease Activity.
Cell, 175, 2018
3W9R
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BU of 3w9r by Molmil
Crystal structure of the high-affinity abscisic acid receptor PYL9/RCAR9 bound to ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL9, HEXAETHYLENE GLYCOL
Authors:Nakagawa, M, Hirano, Y, Kagiyama, M, Shibata, N, Hakoshima, T.
Deposit date:2013-04-13
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of high-affinity abscisic acid binding to PYL9/RCAR1.
Genes Cells, 19, 2014
7OWY
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BU of 7owy by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 3 minutes showing a peroxide anion as bridging species of iron ions in the ferroxidase site
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-06-21
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7PBB
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BU of 7pbb by Molmil
Crystal structure of CD73 in complex with caffeine in the open form
Descriptor: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
4LF2
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BU of 4lf2 by Molmil
Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with sulfate and magnesium
Descriptor: CARBONATE ION, MAGNESIUM ION, Ribulose bisphosphate carboxylase, ...
Authors:Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J.
Deposit date:2013-06-26
Release date:2014-06-25
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
7Q57
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BU of 7q57 by Molmil
Single Particle Cryo-EM structure of photosynthetic A10B10 glyceraldehyde-3-phospahte dehydrogenase from Spinacia oleracea.
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic,Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, ...
Authors:Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
Deposit date:2021-11-02
Release date:2022-11-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (13 Å)
Cite:Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022
7OKQ
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BU of 7okq by Molmil
Cryo-EM Structure of the DDB1-DCAF1-CUL4A-RBX1 Complex
Descriptor: Cullin-4A, DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, ...
Authors:Mohamed, W.I, Schenk, A.D, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2021-05-18
Release date:2021-10-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:The CRL4 DCAF1 cullin-RING ubiquitin ligase is activated following a switch in oligomerization state.
Embo J., 40, 2021
6GWK
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BU of 6gwk by Molmil
The crystal structure of Hfq from Caulobacter crescentus
Descriptor: RNA-binding protein Hfq
Authors:Santiago-Frangos, A, Frohlich, K.S, Jeliazkov, J.R, Gray, J.R, Luisi, B.F, Woodson, S.A, Hardwick, S.W.
Deposit date:2018-06-25
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Caulobacter crescentusHfq structure reveals a conserved mechanism of RNA annealing regulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6E3R
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BU of 6e3r by Molmil
Structure of human DNA polymerase beta complexed with 8OA as the template base in a 1-nucleotide gapped DNA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2018-07-14
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases.
J. Am. Chem. Soc., 141, 2019
7PBA
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BU of 7pba by Molmil
Crystal structure of CD73 in complex with IMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9N
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BU of 7p9n by Molmil
Crystal structure of CD73 in complex with AMP in the open form
Descriptor: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
6GWV
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BU of 6gwv by Molmil
Molybdenum storage protein without polymolybdate clusters and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Molybdenum storage protein subunit alpha, ...
Authors:Ermler, U, Poppe, J, Bruenle, S.
Deposit date:2018-06-26
Release date:2018-11-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Molybdenum Storage Protein: A soluble ATP hydrolysis-dependent molybdate pump.
FEBS J., 285, 2018
7OQP
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BU of 7oqp by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ113
Descriptor: ACETATE ION, N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-06-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
6GW2
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BU of 6gw2 by Molmil
GII.10 human norovirus protruding domain in complex with taurochenodeoxycholate (TCDCA)
Descriptor: 1,2-ETHANEDIOL, Capsid protein, TAUROCHENODEOXYCHOLIC ACID
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-06-21
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis for Human Norovirus Capsid Binding to Bile Acids.
J. Virol., 93, 2019
6E3V
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BU of 6e3v by Molmil
Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable TTP
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2018-07-15
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases.
J. Am. Chem. Soc., 141, 2019
4L9I
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BU of 4l9i by Molmil
Bovine G Protein Coupled Receptor Kinase 1 in Complex with Paroxetine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Paroxetine, ...
Authors:Homan, K.T, Tesmer, J.J.G.
Deposit date:2013-06-18
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and functional analysis of g protein-coupled receptor kinase inhibition by paroxetine and a rationally designed analog.
Mol.Pharmacol., 85, 2014
6GYJ
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BU of 6gyj by Molmil
Mouse thymidylate synthase crystal soaked in phenolphthalein
Descriptor: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W.
Deposit date:2018-06-30
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thymidylate synthase fragment screening
To be published
8TOZ
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BU of 8toz by Molmil
Class III PreQ1 riboswitch double mutant U8C/A85G
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, Class-III preQ1 riboswitch
Authors:Srivastava, Y, Jenkins, J.L, Wedekind, J.E.
Deposit date:2023-08-04
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:New insights into Class III PreQ1 metabolite binding
To Be Published
1ZOP
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BU of 1zop by Molmil
CD11A I-DOMAIN WITH BOUND MAGNESIUM ION
Descriptor: CHLORIDE ION, I-DOMAIN FRAGMENT OF LFA-1, MANGANESE (II) ION
Authors:Leahy, D.J, Qu, A.
Deposit date:1996-06-21
Release date:1996-12-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of the divalent cation in the structure of the I domain from the CD11a/CD18 integrin.
Structure, 4, 1996
8TLG
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BU of 8tlg by Molmil
CDCA7 (Mouse) Binds Non-B-form 34-mer DNA oligo
Descriptor: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (34-MER), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2023-07-26
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
4LBT
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BU of 4lbt by Molmil
Endothiapepsin in complex with 100mM acylhydrazone inhibitor
Descriptor: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Winquist, J, Klebe, G.
Deposit date:2013-06-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014

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数据于2024-09-25公开中

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