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1DGL
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BU of 1dgl by Molmil
LECTIN FROM DIOCLEA GRANDIFLORA COMPLEXED TO TRIMANNOSIDE
Descriptor: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
Authors:Rozwarski, D.A, Swami, B.M, Brewer, C.F, Sacchettini, J.C.
Deposit date:1998-02-10
Release date:1999-06-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the lectin from Dioclea grandiflora complexed with core trimannoside of asparagine-linked carbohydrates.
J.Biol.Chem., 273, 1998
1GWM
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Carbohydrate binding module family29 complexed with glucohexaose
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, NON-CATALYTIC PROTEIN 1, ...
Authors:Charnock, S.J, Nurizzo, D, Davies, G.J.
Deposit date:2002-03-19
Release date:2003-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Promiscuity in Ligand-Binding: The Three-Dimensional Structure of a Piromyces Carbohydrate-Binding Module,Cbm29-2,in Complex with Cello- and Mannohexaose
Proc.Natl.Acad.Sci.USA, 99, 2002
1GZW
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X-RAY CRYSTAL STRUCTURE OF HUMAN GALECTIN-1
Descriptor: BETA-MERCAPTOETHANOL, GALECTIN-1, SULFATE ION, ...
Authors:Lopez-Lucendo, M.I.F, Gabius, H.J, Romero, A.
Deposit date:2002-06-07
Release date:2004-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding
J.Mol.Biol., 343, 2004
1HBJ
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X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline
Descriptor: 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Greenblatt, H.M, Kryger, G, Lewis, T.L, Doucet, C, Viner, R, Silman, I, Sussman, J.L.
Deposit date:2001-04-16
Release date:2001-09-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors
J.Med.Chem., 44, 2001
1H6M
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Covalent glycosyl-enzyme intermediate of hen egg white lysozyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION
Authors:Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G.
Deposit date:2001-06-19
Release date:2001-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate
Nature, 412, 2001
1HFU
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BU of 1hfu by Molmil
TYPE-2 CU-DEPLETED LACCASE FROM COPRINUS CINEREUS at 1.68 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, LACCASE 1, ...
Authors:Ducros, V, Brzozowski, A.M.
Deposit date:2000-12-08
Release date:2001-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of the Laccase from Coprinus Cinereus at 1.68A Resolution: Evidence for Different Type 2 Cu-Depleted Isoforms
Acta Crystallogr.,Sect.D, 57, 2001
1HGH
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BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY
Descriptor: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ...
Authors:Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C.
Deposit date:1991-11-01
Release date:1994-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography.
Biochemistry, 31, 1992
1GU3
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BU of 1gu3 by Molmil
CBM4 structure and function
Descriptor: ENDOGLUCANASE C, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nurizzo, D, Notenboom, V, Davies, G.J.
Deposit date:2002-01-22
Release date:2002-09-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Differential Oligosaccharide Recognition by Evolutionarily-Related Beta-1,4 and Beta-1,3 Glucan-Binding Modules
J.Mol.Biol., 319, 2002
1GVI
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Thermus maltogenic amylase in complex with beta-CD
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), MALTOGENIC AMYLASE
Authors:Kim, M.-S, Kim, J.-I, Oh, B.-H.
Deposit date:2002-02-14
Release date:2002-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Cyclomaltodextrinase, Neopullulanase, and Maltogenic Amylase are Nearly Indistinguishable from Each Other
J.Biol.Chem., 277, 2002
1GXO
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BU of 1gxo by Molmil
Mutant D189A of Family 10 polysaccharide lyase from Cellvibrio cellulosa in complex with trigalaturonic acid
Descriptor: CALCIUM ION, PECTATE LYASE, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
Authors:Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J.
Deposit date:2002-04-08
Release date:2002-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
1GW1
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BU of 1gw1 by Molmil
Substrate distortion by beta-mannanase from Pseudomonas cellulosa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ...
Authors:Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J.
Deposit date:2002-03-01
Release date:2002-09-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State
Angew.Chem.Int.Ed.Engl., 41, 2002
1H3V
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BU of 1h3v by Molmil
CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (G2F)2,SG P212121
Descriptor: IG GAMMA-1 CHAIN C REGION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P.
Deposit date:2002-09-19
Release date:2003-01-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity
J.Mol.Biol., 325, 2003
1H8L
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BU of 1h8l by Molmil
Duck Carboxypeptidase D Domain II in complex with GEMSA
Descriptor: (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gomis-Rueth, F.X, Coll, M, Aviles, F.X, Vendrell, J, Fricker, L.D.
Deposit date:2001-02-09
Release date:2002-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the inhibitor-complexed carboxypeptidase D domain II and the modeling of regulatory carboxypeptidases.
J. Biol. Chem., 276, 2001
1H4H
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BU of 1h4h by Molmil
Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre
Descriptor: XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose
Authors:Sabini, E, Wilson, K.S, Danielsen, S, Schulein, M, Davies, G.J.
Deposit date:2001-05-11
Release date:2002-05-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation for the Glycosyl-Enzyme Intermediate Revealed by the Structure of the Bacillus Agaradhaerens Family 11 Xylanase.
Chem.Biol., 6, 1999
9AXS
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BU of 9axs by Molmil
Crystal Structure of HY18-5B1_Ch Fab in the Apo Conformation
Descriptor: GLYCEROL, HY18-5B1_Ch Fab Heavy Chain, HY18-5B1_Ch Fab Light Chain
Authors:McGovern, M.R, Rodarte, J.V, Pancera, M.
Deposit date:2024-03-06
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure-based engineering of monoclonal antibodies against fentanyl and carfentanil for improved binding
To Be Published
9CPC
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BU of 9cpc by Molmil
Atomic model of porcine brain ventricles cilia doublet microtubule (48-nm periodicity)
Descriptor: Armadillo repeat-containing protein 4 isoform 1, CFAP107/C1orf158, Chromosome 1 C15orf65 homolog, ...
Authors:Zeng, J, Sun, C, Zhang, R.
Deposit date:2024-07-18
Release date:2024-10-23
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural diversity of axonemes across mammalian motile cilia
To Be Published
9BEZ
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BU of 9bez by Molmil
MID domain of human Argo2 bound to RNA
Descriptor: Protein argonaute-2, [(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
Authors:Harp, J.M, Egli, M.
Deposit date:2024-04-16
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
Curr Protoc, 4, 2024
9CC3
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BU of 9cc3 by Molmil
Human Mitochondrial LONP1 Stall State + casein
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Endogenous Co-purified substrate modeled as unknown residues, Lon protease homolog, ...
Authors:Mindrebo, J.T, Lander, G.C.
Deposit date:2024-06-20
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural and mechanistic studies on human LONP1 redefine the hand-over-hand translocation mechanism.
Biorxiv, 2024
9B2X
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BU of 9b2x by Molmil
Cryo-EM structure of Prefusion RSV F (RSV220975)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0
Authors:Yu, X, Langedijk, J.P.M.
Deposit date:2024-03-17
Release date:2024-10-16
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:An efficacious foldon-free prefusion F trimer vaccine for Respiratory Syncytial Virus by stabilizing trimerization-induced regions of instability
To Be Published
7Y4M
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BU of 7y4m by Molmil
Crystal structure of Ricin A chain bound with N2-(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)glycyl-L-phenylalanyl-N6-((benzyloxy)carbonyl)-L-lysine
Descriptor: (2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid, Ricin A chain, SULFATE ION
Authors:Katakura, S, Goto, M, Ohba, T, Kawata, R, Nagatsu, K, Higashi, S, Matsumoto, K, Kurisu, K, Ohtsuka, K, Saito, R.
Deposit date:2022-06-15
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Pterin-based small molecule inhibitor capable of binding to the secondary pocket in the active site of ricin-toxin A chain.
Plos One, 17, 2022
9BA5
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BU of 9ba5 by Molmil
Cross-linked Contactin 2 Ig1-Ig6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-2
Authors:Liu, J.L, Fan, S.F, Ren, G.R, Rudenko, G.R.
Deposit date:2024-04-03
Release date:2024-07-17
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Molecular mechanism of contactin 2 homophilic interaction.
Structure, 32, 2024
9B8S
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BU of 9b8s by Molmil
Human polymerase epsilon bound to PCNA and DNA in the nucleotide exchange state
Descriptor: DNA (5'-D(P*AP*AP*AP*GP*TP*GP*AP*AP*AP*AP*AP*TP*CP*TP*AP*AP*AP*GP*CP*AP*TP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*AP*TP*GP*CP*TP*TP*TP*AP*GP*AP*TP*TP*TP*TP*TP*C)-3'), DNA polymerase epsilon catalytic subunit A, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2024-03-31
Release date:2024-09-11
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (5.01 Å)
Cite:Structures of the human leading strand Pol epsilon-PCNA holoenzyme.
Nat Commun, 15, 2024
9BHK
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BU of 9bhk by Molmil
MerTK in complex with small molecule inhibitor 6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
Descriptor: 6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
Authors:Jakob, C.G, Gurbani, D, Qiu, W.
Deposit date:2024-04-20
Release date:2024-10-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Discovery of Potent Azetidine-Benzoxazole MerTK Inhibitors with In Vivo Target Engagement.
J.Med.Chem., 67, 2024
9CK0
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BU of 9ck0 by Molmil
Cocrystal of PPARg LBD and NFKBIB / IKBB peptide with agonist GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, NF-kappa-B inhibitor beta, Peroxisome proliferator-activated receptor gamma
Authors:Nemetchek, M.D, McClelland, L.J, Hughes, T.S.
Deposit date:2024-07-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cocrystal of PPARg LBD with NFKBIB / IKBB peptide containing N-anchor motif LxxLL and agonist GW1929
To Be Published
9AXV
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Translating S. pombe ribosome
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Gluc, M, Gemin, O, Purdy, M, Mattei, S, Jomaa, A.
Deposit date:2024-03-06
Release date:2024-10-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Ribosomes hibernate on mitochondria during cellular stress.
Nat Commun, 15, 2024

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