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6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Descriptor: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S, Wilson, J.E.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6VAJ
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BU of 6vaj by Molmil
Crystal Structure Analysis of human PIN1
Descriptor: 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-12-17
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Nat.Chem.Biol., 17, 2021
6VAQ
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BU of 6vaq by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase V394L mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
3DTS
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BU of 3dts by Molmil
E(L212)A, D(L213)A, R(M233)L triple mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Pokkuluri, P.R, Schiffer, M.
Deposit date:2008-07-15
Release date:2009-06-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural description of compensatory mutations that restore proton transfer pathways to the L212-L213A mutant bacterial reaction center
To be Published
6VCC
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BU of 6vcc by Molmil
Cryo-EM structure of the Dvl2 DIX filament
Descriptor: Segment polarity protein dishevelled homolog DVL-2
Authors:Enos, M, Kan, W, Muennich, S, Chen, D.H, Skiniotis, G, Weis, W.I.
Deposit date:2019-12-20
Release date:2020-04-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Limited Dishevelled/Axin oligomerization determines efficiency of Wnt/ beta-catenin signal transduction.
Elife, 9, 2020
3DZT
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BU of 3dzt by Molmil
AeD7-leukotriene E4 complex
Descriptor: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M.
Deposit date:2008-07-30
Release date:2009-02-03
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
3DRJ
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BU of 3drj by Molmil
Crystal structure of Lactococcal OppA co-crystallized with pTH-related peptide in an open conformation
Descriptor: Oligopeptide-binding protein oppA, pTH-related peptide
Authors:Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
Deposit date:2008-07-11
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
3DLG
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BU of 3dlg by Molmil
Crystal structure of hiv-1 reverse transcriptase in complex with GW564511.
Descriptor: N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, P51 RT, PHOSPHATE ION, ...
Authors:Ren, J, Chamberlain, P.P, Stammers, D.K.
Deposit date:2008-06-27
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
6UZV
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BU of 6uzv by Molmil
The structure of a red shifted photosystem I complex
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Toporik, H, Williams, D, Chiu, P.L, Mazor, Y.
Deposit date:2019-11-15
Release date:2020-09-16
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of a red-shifted photosystem I reveals a red site in the core antenna.
Nat Commun, 11, 2020
6V22
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BU of 6v22 by Molmil
Cryo-EM structure of Ca2+-bound hsSlo1-beta4 channel complex
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tao, X, MacKinnon, R.
Deposit date:2019-11-22
Release date:2019-12-25
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular structures of the human Slo1 K + channel in complex with beta 4.
Elife, 8, 2019
6V4M
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BU of 6v4m by Molmil
Trichuris suis BCL-2
Descriptor: BCL-2, CHLORIDE ION, SULFATE ION
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J.
Deposit date:2019-11-28
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Diversity in the intrinsic apoptosis pathway of nematodes.
Commun Biol, 3, 2020
6VAU
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BU of 6vau by Molmil
Bare actin filament from a partially cofilin-decorated sample
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
Deposit date:2019-12-17
Release date:2020-01-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V75
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BU of 6v75 by Molmil
Crystal Structure of Human PKM2 in Complex with L-aspartate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ASPARTIC ACID, CHLORIDE ION, ...
Authors:Nandi, S, Dey, M.
Deposit date:2019-12-07
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Biochemical and structural insights into how amino acids regulate pyruvate kinase muscle isoform 2.
J.Biol.Chem., 295, 2020
3DRH
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BU of 3drh by Molmil
Crystal structure of Lactococcal OppA co-crystallized with Leu-enkephalin in an open conformation
Descriptor: Oligopeptide-binding protein oppA, peptide AAAAAA
Authors:Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
Deposit date:2008-07-11
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
3DU2
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BU of 3du2 by Molmil
E(L212)A mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Pokkuluri, P.R, Schiffer, M.
Deposit date:2008-07-16
Release date:2009-06-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:E(L212)A mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides
To be Published
6VEC
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BU of 6vec by Molmil
Cryo-EM structure of F-actin/Plastin2-ABD2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Zheng, W, Kudryashov, D.S, Egelman, E.H.
Deposit date:2019-12-31
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Osteogenesis imperfecta mutations in plastin 3 lead to impaired calcium regulation of actin bundling.
Bone Res, 8, 2020
6V38
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BU of 6v38 by Molmil
Cryo-EM structure of Ca2+-bound hsSlo1 channel
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL, ...
Authors:Tao, X, MacKinnon, R.
Deposit date:2019-11-25
Release date:2019-12-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular structures of the human Slo1 K + channel in complex with beta 4.
Elife, 8, 2019
3CTT
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BU of 3ctt by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with Casuarine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CASUARINE, GLYCEROL, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2008-04-14
Release date:2009-02-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Total syntheses of casuarine and its 6-O-alpha-glucoside: complementary inhibition towards glycoside hydrolases of the GH31 and GH37 families
Chemistry, 15, 2009
6V63
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BU of 6v63 by Molmil
SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2019-12-04
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
6V18
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BU of 6v18 by Molmil
immune receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta, GLYCEROL, ...
Authors:Lim, J.J, Rossjohn, J.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Sci Immunol, 6, 2021
3CSJ
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BU of 3csj by Molmil
Human glutathione s-transferase p1-1 in complex with chlorambucil
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
6V3B
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BU of 6v3b by Molmil
Cryo-EM structure of the Acinetobacter baumannii Ribosome: 70S in Empty state
Descriptor: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2019-11-25
Release date:2020-02-05
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Cryo-electron Microscopy Structure of the Acinetobacter baumannii 70S Ribosome and Implications for New Antibiotic Development.
Mbio, 11, 2020
6VAO
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BU of 6vao by Molmil
Human cofilin-1 decorated actin filament
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
Deposit date:2019-12-17
Release date:2020-01-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
3CWA
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BU of 3cwa by Molmil
Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Cytosine Base Pair
Descriptor: DNA (5'-D(*(8OG)P*DAP*DCP*DAP*DTP*DGP*DAP*DGP*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DCP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-21
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
3CZ7
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BU of 3cz7 by Molmil
Molecular Basis for the Autoregulation of the Protein Acetyl Transferase Rtt109
Descriptor: ACETYL COENZYME *A, Regulator of Ty1 transposition protein 109
Authors:Hoelz, A, Stavropoulos, P.
Deposit date:2008-04-28
Release date:2008-09-09
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the autoregulation of the protein acetyl transferase Rtt109
Proc.Natl.Acad.Sci.Usa, 105, 2008

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