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7RNV
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BU of 7rnv by Molmil
SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RNS
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BU of 7rns by Molmil
nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
1QS0
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BU of 1qs0 by Molmil
Crystal Structure of Pseudomonas Putida 2-oxoisovalerate Dehydrogenase (Branched-Chain Alpha-Keto Acid Dehydrogenase, E1B)
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, 2-OXOISOVALERATE DEHYDROGENASE ALPHA-SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA-SUBUNIT, ...
Authors:Aevarsson, A, Seger, K, Turley, S, Sokatch, J.R, Hol, W.G.J.
Deposit date:1999-06-24
Release date:1999-08-18
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of 2-oxoisovalerate and dehydrogenase and the architecture of 2-oxo acid dehydrogenase multienzyme complexes.
Nat.Struct.Biol., 6, 1999
7RNU
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BU of 7rnu by Molmil
nSH2 domain of p85-beta subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RFK
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BU of 7rfk by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFL
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BU of 7rfl by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946
Descriptor: 1,2-ETHANEDIOL, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFM
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BU of 7rfm by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777
Descriptor: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFN
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BU of 7rfn by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158
Descriptor: 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
1QST
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BU of 1qst by Molmil
CRYSTAL STRUCTURE OF TETRAHYMENA GCN5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TGCN5 HISTONE ACETYL TRANSFERASE
Authors:Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R.
Deposit date:1999-06-23
Release date:1999-09-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
1OS7
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BU of 1os7 by Molmil
Crystal structure of TauD with iron, alpha-ketoglutarate and Taurine bound at pH 7.5
Descriptor: 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent taurine dioxygenase, ...
Authors:O'Brien, J.R, Schuller, D.J, Yang, V.S, Dillard, B.D, Lanzilotta, W.N.
Deposit date:2003-03-18
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate-Induced Conformational Changes in Escherichia coli Taurine/alpha-Ketoglutarate Dioxygenase and Insight Into the Oligomeric Structure
Biochemistry, 42, 2003
7MF3
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BU of 7mf3 by Molmil
Structure of the autoinhibited state of smooth muscle myosin-2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin light polypeptide 6, ...
Authors:Heissler, S.M, Arora, A.S, Billington, N, Sellers, J.R, Chinthalapudi, K.
Deposit date:2021-04-08
Release date:2022-01-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of the autoinhibited state of myosin-2.
Sci Adv, 7, 2021
1P57
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BU of 1p57 by Molmil
Extracellular domain of human hepsin
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin
Authors:Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A.
Deposit date:2003-04-25
Release date:2004-01-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain
Structure, 11, 2003
7R6R
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BU of 7r6r by Molmil
Crystal Structure of a Mycobacteriophage Cluster A2 Immunity Repressor:DNA Complex
Descriptor: DNA (5'-D(P*CP*CP*CP*GP*CP*TP*TP*GP*AP*CP*AP*GP*CP*CP*AP*CP*CP*GP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*GP*G)-3'), Immunity repressor
Authors:McGinnis, R.J, Brambley, C.A, Stamey, B, Green, W.C, Gragg, K.N, Cafferty, E.R, Terwilliger, T.C, Hammel, M, Hollis, T.J, Miller, J.M, Gainey, M.D, Wallen, J.R.
Deposit date:2021-06-23
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:A monomeric mycobacteriophage immunity repressor utilizes two domains to recognize an asymmetric DNA sequence.
Nat Commun, 13, 2022
1OTJ
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BU of 1otj by Molmil
Crystal structure of APO (iron-free) TauD
Descriptor: 2-AMINOETHANESULFONIC ACID, Alpha-Ketoglutarate-Dependent Taurine Dioxygenase, CHLORIDE ION
Authors:O'Brien, J.R, Schuller, D.J, Yang, V.S, Dillard, B.D, Lanzilotta, W.N.
Deposit date:2003-03-21
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-induced conformational changes in Escherichia coli taurine/alpha-ketoglutarate dioxygenase and insight into the oligomeric structure
Biochemistry, 42, 2003
1QTJ
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BU of 1qtj by Molmil
CRYSTAL STRUCTURE OF LIMULUS POLYPHEMUS SAP
Descriptor: PROTEIN (SERUM AMYLOID P COMPONENT)
Authors:Shrive, A.K, Metcalfe, A.M, Cartwright, J.R, Greenhough, T.J.
Deposit date:1999-06-28
Release date:2000-06-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:C-reactive protein and SAP-like pentraxin are both present in Limulus polyphemus haemolymph: crystal structure of Limulus SAP.
J.Mol.Biol., 290, 1999
7NIP
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BU of 7nip by Molmil
titin N2A unique sequence (UN2A) core
Descriptor: Isoform 11 of Titin
Authors:Zhou, T, Kovermann, M, Fleming, J.R, Mayans, O.
Deposit date:2021-02-13
Release date:2021-03-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular Characterisation of Titin N2A and Its Binding of CARP Reveals a Titin/Actin Cross-linking Mechanism.
J.Mol.Biol., 433, 2021
7SFF
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BU of 7sff by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3852279B
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFD
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BU of 7sfd by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3543105A
Descriptor: (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFC
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BU of 7sfc by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3735967A
Descriptor: 1,2-ETHANEDIOL, DNA (12-MER), DNA (cytosine-5)-methyltransferase 1, ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFE
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BU of 7sfe by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830334A
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFG
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BU of 7sfg by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Cofactor SAM
Descriptor: 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 1, DNA Strand 1, ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7N5S
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BU of 7n5s by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 6)
Descriptor: DNA Strand I, DNA Strand II, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
7N5T
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BU of 7n5t by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 5)
Descriptor: DNA Strand I, DNA Strand II, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
7MYO
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BU of 7myo by Molmil
Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K.
Deposit date:2021-05-21
Release date:2021-11-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MYN
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BU of 7myn by Molmil
Cryo-EM Structure of p110alpha in complex with p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K.
Deposit date:2021-05-21
Release date:2021-11-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021

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