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8WKU
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BU of 8wku by Molmil
Complex structure of MjHKU4r-CoV-1 spike RBD bound to human CD26
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form, MjHKU4r-CoV-1 spike RBD, ...
Authors:Zhao, Z.N, Chai, Y, Gao, F.
Deposit date:2023-09-28
Release date:2024-06-26
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular basis for receptor recognition and broad host tropism for merbecovirus MjHKU4r-CoV-1.
Embo Rep., 25, 2024
5VYT
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BU of 5vyt by Molmil
Crystal structure of the WbkC N-formyltransferase (F142A variant) from Brucella melitensis
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Gdp-mannose 4,6-dehydratase / gdp-4-amino-4,6-dideoxy-d-mannose formyltransferase, ...
Authors:Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
Deposit date:2017-05-26
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
5W13
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BU of 5w13 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor SM23
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
8W0U
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BU of 8w0u by Molmil
Human LCAD complexed with Acetoacetyl Coenzyme A
Descriptor: ACETOACETYL-COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, Long-chain specific acyl-CoA dehydrogenase, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2024-02-14
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for expanded substrate specificities of human long chain acyl-CoA dehydrogenase and related acyl-CoA dehydrogenases.
Sci Rep, 14, 2024
5W12
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BU of 5w12 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor EC04
Descriptor: 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
8W0T
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BU of 8w0t by Molmil
Human LCAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Long-chain specific acyl-CoA dehydrogenase, mitochondrial
Authors:Xia, C, Kim, J.J.P.
Deposit date:2024-02-14
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for expanded substrate specificities of human long chain acyl-CoA dehydrogenase and related acyl-CoA dehydrogenases.
Sci Rep, 14, 2024
8W0Z
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BU of 8w0z by Molmil
Human LCAD complexed with Lauric Acid
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LAURIC ACID, Long-chain specific acyl-CoA dehydrogenase, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2024-02-14
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for expanded substrate specificities of human long chain acyl-CoA dehydrogenase and related acyl-CoA dehydrogenases.
Sci Rep, 14, 2024
5VQP
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BU of 5vqp by Molmil
Crystal structure of human pro-TGF-beta1
Descriptor: Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A.
Deposit date:2017-05-09
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
5VVK
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BU of 5vvk by Molmil
Cas1-Cas2 bound to full-site mimic
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*CP*CP*AP*CP*CP*AP*GP*TP*G)-3'), ...
Authors:Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A.
Deposit date:2017-05-19
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the CRISPR genome integration complex.
Science, 357, 2017
5VYU
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BU of 5vyu by Molmil
Crystal structure of the WbkC N-formyltransferase from Brucella melitensis in complex with GDP-perosaminea and N-10-formyltetrahydrofolate
Descriptor: GDP-perosamine, GUANOSINE-5'-DIPHOSPHATE, Gdp-mannose 4,6-dehydratase / gdp-4-amino-4,6-dideoxy-d-mannose formyltransferase, ...
Authors:Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
Deposit date:2017-05-26
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
5W6O
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BU of 5w6o by Molmil
Choline Kinase Alpha in Complex with TCD-717
Descriptor: 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kall, S.K, Lavie, A.
Deposit date:2017-06-16
Release date:2018-02-14
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha.
Biochemistry, 57, 2018
5VVJ
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BU of 5vvj by Molmil
Cas1-Cas2 bound to half-site intermediate
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (112-MER), ...
Authors:Wright, A.V, Knott, G.J, Doxzen, K.W, Doudna, J.A.
Deposit date:2017-05-19
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Structures of the CRISPR genome integration complex.
Science, 357, 2017
5W0G
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BU of 5w0g by Molmil
Structure of U2AF65 (U2AF2) RRM1 at 1.07 resolution
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETATE ION, Splicing factor U2AF 65 kDa subunit, ...
Authors:Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2017-05-30
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Cancer-Associated Mutations Mapped on High-Resolution Structures of the U2AF2 RNA Recognition Motifs.
Biochemistry, 56, 2017
5VYR
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BU of 5vyr by Molmil
Crystal structure of the WbkC formyl transferase from Brucella melitensis
Descriptor: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
Deposit date:2017-05-26
Release date:2017-07-05
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
8WZC
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BU of 8wzc by Molmil
NYN domain of human KHNYN complex with RNA
Descriptor: GLYCEROL, MAGNESIUM ION, Protein KHNYN, ...
Authors:Hong, S, Choe, J.
Deposit date:2023-11-01
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Crystal structure of NYN domain of Human KHNYN in complex with single strand RNA.
Biochem.Biophys.Res.Commun., 738, 2024
5W35
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BU of 5w35 by Molmil
Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis primase DnaG in complex with a double-stranded DNA oligomer with a 1-nucleotide overhang
Descriptor: DNA primase, synthetic DNA oligomer 5'-CCACTTCCGGTC, synthetic DNA oligomer 5'-TGACCGGAAGTGG
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2017-06-07
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structures of the Catalytic Domain of Bacterial Primase DnaG in Complexes with DNA Provide Insight into Key Priming Events.
Biochemistry, 57, 2018
3SUN
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BU of 3sun by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite 2AP (AT rich sequence)
Descriptor: 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', CALCIUM ION, ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-11
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
5W36
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BU of 5w36 by Molmil
Crystal structure of the RNA polymerase domain (RPD) of Mycobacterium tuberculosis primase DnaG in complex with a double-stranded DNA oligomer with a 6-nucleotide overhang
Descriptor: DNA primase, STRONTIUM ION, synthetic DNA 5'-TATCGTCCCGCCTC
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2017-06-07
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structures of the Catalytic Domain of Bacterial Primase DnaG in Complexes with DNA Provide Insight into Key Priming Events.
Biochemistry, 57, 2018
5UNO
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BU of 5uno by Molmil
Crystal Structure of Hip1 (Rv2224c)
Descriptor: Carboxylesterase A
Authors:Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
Deposit date:2017-01-31
Release date:2017-04-12
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
Descriptor: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5UYP
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BU of 5uyp by Molmil
70S ribosome bound with near-cognate ternary complex base-paired to A site codon, open 30S (Structure II-nc)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A.
Deposit date:2017-02-24
Release date:2017-06-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ensemble cryo-EM elucidates the mechanism of translation fidelity
Nature, 546, 2017
5V62
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BU of 5v62 by Molmil
Phospho-ERK2 bound to bivalent inhibitor SBP3
Descriptor: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Lechtenberg, B.C, Riedl, S.J.
Deposit date:2017-03-15
Release date:2017-07-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
3SUP
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BU of 3sup by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dCTP Opposite 2AP (GC rich sequence)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-11
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
8XGC
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BU of 8xgc by Molmil
Structure of yeast replisome associated with FACT and histone hexamer, Composite map
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ...
Authors:Li, N, Gao, Y, Yu, D, Gao, N, Zhai, Y.
Deposit date:2023-12-15
Release date:2024-02-14
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Parental histone transfer caught at the replication fork.
Nature, 627, 2024
8Y1R
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BU of 8y1r by Molmil
in situ room temperature Laue crystallography
Descriptor: Lysozyme C
Authors:Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y.
Deposit date:2024-01-25
Release date:2024-02-07
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single pulse data collection with an X-ray chopper at in situ room temperature Laue crystallography beamline BL03HB
Nucl Instrum Methods Phys Res A, 1069, 2024

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PDB entries from 2024-10-02

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