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4UVD
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BU of 4uvd by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 6
Descriptor: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
4UVH
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BU of 4uvh by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 10
Descriptor: ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
7P7S
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BU of 7p7s by Molmil
PoxtA-EQ2 antibiotic resistance ABCF bound to E. faecalis 70S ribosome, state II
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
7P7U
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BU of 7p7u by Molmil
E. faecalis 70S ribosome with P-tRNA, state IV
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
7P7R
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BU of 7p7r by Molmil
PoxtA-EQ2 antibiotic resistance ABCF bound to E. faecalis 70S ribosome, state I
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2021-07-20
Release date:2022-03-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
7YSF
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BU of 7ysf by Molmil
Crystal structure of ZNF524 ZF1-4 in complex with telomeric DNA
Descriptor: D-MALATE, DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*C)-3'), ...
Authors:Li, F.D, Xu, Z.Y.
Deposit date:2022-08-12
Release date:2023-08-16
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:ZNF524 directly interacts with telomeric DNA and supports telomere integrity.
Nat Commun, 14, 2023
7P7T
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BU of 7p7t by Molmil
PoxtA-EQ2 antibiotic resistance ABCF bound to E. faecalis 70S ribosome, state III
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
7P7Q
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BU of 7p7q by Molmil
E. faecalis 70S ribosome bound by PoxtA-EQ2, high-resolution combined volume
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis for PoxtA-mediated resistance to phenicol and oxazolidinone antibiotics.
Nat Commun, 13, 2022
6WMA
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BU of 6wma by Molmil
Crystal structure of a soluble variant of full-length human APOBEC3G (pH 7.6)
Descriptor: APOLIPOPROTEIN B MRNA EDITING ENZYME, CATALYTIC PEPTIDE- LIKE 3G, CHLORIDE ION, ...
Authors:Maiti, A, Matsuo, H.
Deposit date:2020-04-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
J.Mol.Biol., 432, 2020
6WMC
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BU of 6wmc by Molmil
Crystal structure of a soluble variant of full-length human APOBEC3G (pH 9.0)
Descriptor: APOLIPOPROTEIN B MRNA EDITING ENZYME, CATALYTIC PEPTIDE-3 LIKE 3G, DNA (5'-D(P*CP*C)-3'), ...
Authors:Maiti, A, Matsuo, H.
Deposit date:2020-04-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
J.Mol.Biol., 432, 2020
6WMB
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BU of 6wmb by Molmil
Crystal structure of a soluble variant of full-length human APOBEC3G (pH 8.0)
Descriptor: APOLIPOPROTEIN B MRNA EDITING ENZYME, CATALYTIC PEPTIDE- LIKE 3G, DNA (5'-D(P*CP*C)-3'), ...
Authors:Maiti, A, Matsuo, H.
Deposit date:2020-04-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
J.Mol.Biol., 432, 2020
6ET4
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BU of 6et4 by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ...
Authors:Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S.
Deposit date:2017-10-25
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage.
Nat Commun, 9, 2018
5V4U
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BU of 5v4u by Molmil
Solution structure of VKK38 bound to plasminogen kringle 2
Descriptor: M protein
Authors:Yuan, Y, Castellino, F.
Deposit date:2017-03-10
Release date:2017-07-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformationally organized lysine isosteres in Streptococcus pyogenes M protein mediate direct high-affinity binding to human plasminogen.
J. Biol. Chem., 292, 2017
7UJA
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BU of 7uja by Molmil
Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ...
Authors:Lees, J.A, Ammirati, M, Han, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
7UJ3
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BU of 7uj3 by Molmil
Crystal structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RSV variant (construct pXCS847A) F1, RSV variant (construct pXCS847A) F2, ...
Authors:Han, S, Ammirati, M.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
7UXD
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BU of 7uxd by Molmil
Crystal structure of APOBEC3G Catalytic domain complex with ssDNA containing 2'-deoxy Zebularine.
Descriptor: DNA (5'-D(*AP*AP*TP*CP*CP*(DDN)P*AP*AP*A)-3'), DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION
Authors:Maiti, A, Matsuo, H.
Deposit date:2022-05-05
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the catalytically active APOBEC3G bound to a DNA oligonucleotide inhibitor reveals tetrahedral geometry of the transition state.
Nat Commun, 13, 2022
6ZW8
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BU of 6zw8 by Molmil
Isopenicillin N synthase in complex with Cd and ACV.
Descriptor: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-07-27
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6Q38
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BU of 6q38 by Molmil
The Crystal structure of CK2a bound to P1-C4
Descriptor: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ...
Authors:Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
6Q4Q
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BU of 6q4q by Molmil
The Crystal structure of CK2a bound to P2-C4
Descriptor: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ...
Authors:Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
Deposit date:2018-12-06
Release date:2019-04-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
8BHF
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BU of 8bhf by Molmil
Cryo-EM structure of stalled rabbit 80S ribosomes in complex with human CCR4-NOT and CNOT4
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S11, ...
Authors:Absmeier, E, Chandrasekaran, V, O'Reilly, F.J, Stowell, J.A.W, Rappsilber, J, Passmore, L.A.
Deposit date:2022-10-31
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
6AKJ
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BU of 6akj by Molmil
The crystal structure of EMC complex
Descriptor: Enhancer of rudimentary homolog,YTH domain-containing protein mmi1 fusion protein, SULFATE ION
Authors:Li, F.
Deposit date:2018-09-01
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A conserved dimer interface connects ERH and YTH family proteins to promote gene silencing.
Nat Commun, 10, 2019
5VET
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BU of 5vet by Molmil
PHOSPHOLIPASE A2, RE-REFINEMENT OF THE PDB STRUCTURE 1JQ8 WITHOUT THE PUTATIVE COMPLEXED OLIGOPEPTIDE
Descriptor: Phospholipase A2 VRV-PL-VIIIa
Authors:Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
Deposit date:2017-04-05
Release date:2018-06-20
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
5E8B
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BU of 5e8b by Molmil
Crystal structure of the S. cerevisiae Rtf1 histone modification domain mutant R126A
Descriptor: BENZAMIDINE, RNA polymerase-associated protein RTF1, SODIUM ION
Authors:Wier, A.D, Heroux, A, VanDemark, A.P.
Deposit date:2015-10-14
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The Histone Modification Domain of Paf1 Complex Subunit Rtf1 Directly Stimulates H2B Ubiquitylation through an Interaction with Rad6.
Mol. Cell, 64, 2016
5EMX
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BU of 5emx by Molmil
Crystal structure of the S. cerevisiae Rtf1 histone modification domain mutant R124A R126A R128A
Descriptor: RNA polymerase-associated protein RTF1
Authors:Wier, A.D, Heroux, A, VanDemark, A.P.
Deposit date:2015-11-06
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:The Histone Modification Domain of Paf1 Complex Subunit Rtf1 Directly Stimulates H2B Ubiquitylation through an Interaction with Rad6.
Mol.Cell, 64, 2016
1C8E
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BU of 1c8e by Molmil
FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE
Descriptor: FELINE PANLEUKOPENIA VIRUS CAPSID
Authors:Rossmann, M.G, Simpson, A.A.
Deposit date:2000-05-05
Release date:2000-08-09
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses.
J.Mol.Biol., 300, 2000

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