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2YSC
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BU of 2ysc by Molmil
Solution structure of the WW domain from the human amyloid beta A4 precursor protein-binding family B member 3, APBB3
Descriptor: Amyloid beta A4 precursor protein-binding family B member 3
Authors:Ohnishi, S, Yoneyama, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the WW domain from the human amyloid beta A4 precursor protein-binding family B member 3, APBB3
To be Published
6CBV
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BU of 6cbv by Molmil
Crystal structure of BRIL bound to an affinity matured synthetic antibody.
Descriptor: BRIL, FORMIC ACID, GLYCEROL, ...
Authors:Mukherjee, S, Skrobek, B, Kossiakoff, A.A.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
2YE1
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BU of 2ye1 by Molmil
X-ray structure of the cyan fluorescent proteinmTurquoise-GL (K206A mutant)
Descriptor: GREEN FLUORESCENT PROTEIN, MAGNESIUM ION
Authors:von Stetten, D, Noirclerc-Savoye, M, Goedhart, J, Gadella, T.W.J, Royant, A.
Deposit date:2011-03-25
Release date:2012-04-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Characterization of the Cyan Fluorescent Protein Mturquoise-Gl
To be Published
6JPK
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BU of 6jpk by Molmil
Crystal structure of S. pombe aspartate aminotransferase
Descriptor: Aspartate aminotransferase, cytoplasmic, GLYCEROL, ...
Authors:Jin, H, Chang, J.H.
Deposit date:2019-03-27
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Crystal structure of L-aspartate aminotransferase from Schizosaccharomyces pombe.
Plos One, 14, 2019
5TAW
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BU of 5taw by Molmil
Structure of rabbit RyR1 (ryanodine dataset, all particles)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-10
Release date:2016-10-12
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
6Q0C
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BU of 6q0c by Molmil
MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with undamaged dG
Descriptor: 1,2-ETHANEDIOL, A/G-specific adenine glycosylase, CALCIUM ION, ...
Authors:O'Shea Murray, V.L, Russelburg, L.P, Horvath, M.P, David, S.S.
Deposit date:2019-08-01
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Acs Chem.Biol., 15, 2020
2NT9
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BU of 2nt9 by Molmil
Crystal structure of pectin methylesterase D178A mutant in complex with hexasaccharide IV
Descriptor: Pectinesterase A, alpha-D-galactopyranuronic acid-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-alpha-D-galactopyranuronic acid
Authors:Fries, M, Brocklehurst, K, Shevchik, V.E, Pickersgill, R.W.
Deposit date:2006-11-07
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis of the activity of the phytopathogen pectin methylesterase.
Embo J., 26, 2007
2NTQ
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BU of 2ntq by Molmil
Crystal structure of pectin methylesterase in complex with hexasaccharide VII
Descriptor: Pectinesterase A, methyl alpha-D-galactopyranuronate-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
Authors:Fries, M, Brocklehurst, K, Shevchik, V.E, Pickersgill, R.W.
Deposit date:2006-11-08
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of the activity of the phytopathogen pectin methylesterase.
Embo J., 26, 2007
6CCK
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BU of 6cck by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
Descriptor: (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6BU8
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BU of 6bu8 by Molmil
70S ribosome with S1 domains 1 and 2 (Class 1)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
Authors:Loveland, A.B, Korostelev, A.A.
Deposit date:2017-12-08
Release date:2018-01-31
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural dynamics of protein S1 on the 70S ribosome visualized by ensemble cryo-EM.
Methods, 137, 2018
2YLT
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BU of 2ylt by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP and MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
7LUS
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BU of 7lus by Molmil
IgG2 Fc Charge Pair Mutation version 1 (CPMv1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 2
Authors:Sudom, A, Whittington, D, Garces, F, Wang, Z.
Deposit date:2021-02-23
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
6C1H
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BU of 6c1h by Molmil
High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V.
Deposit date:2018-01-04
Release date:2018-01-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6JO5
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BU of 6jo5 by Molmil
Structure of the green algal photosystem I supercomplex with light-harvesting complex I
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Miyazaki, N, Takahashi, Y.
Deposit date:2019-03-20
Release date:2019-06-19
Last modified:2019-06-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the green algal photosystem I supercomplex with a decameric light-harvesting complex I.
Nat.Plants, 5, 2019
2Y64
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BU of 2y64 by Molmil
Xylopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
Descriptor: CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
Deposit date:2011-01-19
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
6PZV
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BU of 6pzv by Molmil
Crystal Structure of Bovine DNMT1 RFTS domain in complex with H3K9me3 and Ubiquitin
Descriptor: CITRATE ANION, DNA (cytosine-5)-methyltransferase 1, Histone H3.3, ...
Authors:Ren, W, Song, J.
Deposit date:2019-08-01
Release date:2020-07-15
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Direct readout of heterochromatic H3K9me3 regulates DNMT1-mediated maintenance DNA methylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
5T15
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BU of 5t15 by Molmil
Structural basis for gating and activation of RyR1 (30 uM Ca2+ dataset, all particles)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1, ...
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-08-17
Release date:2016-10-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
2Y81
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BU of 2y81 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
6Q15
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BU of 6q15 by Molmil
Structure of the Salmonella SPI-1 injectisome needle complex
Descriptor: Lipoprotein PrgK, Protein InvG, Protein PrgH, ...
Authors:Hu, J, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2019-08-02
Release date:2019-10-23
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (5.15 Å)
Cite:T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly.
Nat Microbiol, 4, 2019
6JRD
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BU of 6jrd by Molmil
ZHD complex with hydrolyzed beta-ZOL
Descriptor: 2-[(~{E},6~{S},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, POTASSIUM ION, ...
Authors:Hu, X.J.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of ZHD complex
To Be Published
6JJR
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BU of 6jjr by Molmil
Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14
Descriptor: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitotriosidase-1
Authors:Jiang, X, Yang, Q.
Deposit date:2019-02-26
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.834 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
2YFT
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BU of 2yft by Molmil
Crystal structure of inulosucrase from Lactobacillus johnsonii NCC533 in complex with 1-kestose
Descriptor: ACETATE ION, CALCIUM ION, LEVANSUCRASE, ...
Authors:Pijning, T, Anwar, M.A, Leemhuis, H, Kralj, S, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2011-04-07
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Inulosucrase from Lactobacillus: Insights Into the Substrate Specificity and Product Specificity of Gh68 Fructansucrases.
J.Mol.Biol., 412, 2011
2YJF
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BU of 2yjf by Molmil
Oligomeric assembly of actin bound to MRTF-A
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mouilleron, S, Langer, C.A, Guettler, S, McDonald, N.Q, Treisman, R.
Deposit date:2011-05-19
Release date:2011-07-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a pentavalent G-actin*MRTF-A complex reveals how G-actin controls nucleocytoplasmic shuttling of a transcriptional coactivator.
Sci Signal, 4, 2011
2O01
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BU of 2o01 by Molmil
The Structure of a plant photosystem I supercomplex at 3.4 Angstrom resolution
Descriptor: AT3g54890, BETA-CAROTENE, CHLOROPHYLL A, ...
Authors:Amunts, A, Drory, O, Nelson, N.
Deposit date:2006-11-27
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The structure of a plant photosystem I supercomplex at 3.4 A resolution.
Nature, 447, 2007
2YKM
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BU of 2ykm by Molmil
Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI)
Descriptor: 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
Authors:Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D.
Deposit date:2011-05-28
Release date:2011-08-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors.
J.Med.Chem., 54, 2011

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