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4NCC
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BU of 4ncc by Molmil
Neutralizing antibody to murine norovirus
Descriptor: Fab fragment heavy, Fab fragment light
Authors:Smith, T, Li, M.
Deposit date:2013-10-24
Release date:2014-02-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization.
J.Virol., 88, 2014
4P59
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BU of 4p59 by Molmil
HER3 extracellular domain in complex with Fab fragment of MOR09825
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MOR09825 Fab fragment heavy chain, ...
Authors:Sprague, E.R.
Deposit date:2014-03-15
Release date:2014-04-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:An antibody that locks HER3 in the inactive conformation inhibits tumor growth driven by HER2 or neuregulin.
Cancer Res., 73, 2013
4P73
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BU of 4p73 by Molmil
PheRS in complex with compound 1a
Descriptor: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4MWF
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BU of 4mwf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core bound to broadly neutralizing antibody AR3C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Kong, L, Wilson, I.A, Law, M.
Deposit date:2013-09-24
Release date:2013-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Hepatitis C virus e2 envelope glycoprotein core structure.
Science, 342, 2013
4OD3
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BU of 4od3 by Molmil
Crystal structure of human Fab CAP256-VRC26.07, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAP256-VRC26.07 heavy chain, CAP256-VRC26.07 light chain, ...
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.616 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4ORG
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BU of 4org by Molmil
Crystal structure of human Fab CAP256-VRC26.04, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: CAP256-VRC26.04 heavy chain, CAP256-VRC26.04 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-02-11
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.121 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4QNB
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BU of 4qnb by Molmil
Disulfide stabilized HIV-1 CA hexamer in complex with PHENYL-L-PHENYLALANINAMIDE inhibitor
Descriptor: CAPSID PROTEIN P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Authors:Pornillos, O.
Deposit date:2014-06-17
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structural basis of HIV-1 capsid recognition by PF74 and CPSF6.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MYQ
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BU of 4myq by Molmil
Selective Inhibition of the Catalytic Domain Of Human Phosphodiesterase 4B With A-33
Descriptor: (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-09-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the design of selective phosphodiesterase 4B inhibitors.
Cell Signal, 26, 2014
4ODH
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BU of 4odh by Molmil
Crystal structure of human Fab CAP256-VRC26.UCA, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: CAP256-VRC26.UCA heavy chain, CAP256-VRC26.UCA light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-10
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
4R73
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BU of 4r73 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (endogenous glucose-6-phosphate and mannose-6-phosphate bound)
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ABC-type Fe3+ transport system, ...
Authors:Calmettes, C, Tang, C, Sit, B, Moraes, T.F.
Deposit date:2014-08-26
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
4QQ1
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BU of 4qq1 by Molmil
Crystal structure of the isotype 1 Transferrin binding protein B (TbpB) from serogroup B Neisseria meningitidis
Descriptor: CESIUM ION, GLYCEROL, SULFATE ION, ...
Authors:Calmettes, C, Moraes, T.F.
Deposit date:2014-06-26
Release date:2015-04-01
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Patterns of structural and sequence variation within isotype lineages of the Neisseria meningitidis transferrin receptor system.
Microbiologyopen, 4, 2015
2BFG
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BU of 2bfg by Molmil
crystal structure of beta-xylosidase (fam GH39) in complex with dinitrophenyl-beta-xyloside and covalently bound xyloside
Descriptor: 2,5-DINITROPHENOL, BETA-XYLOSIDASE, SODIUM ION, ...
Authors:Czjzek, M, Bravman, T, Henrissat, B, Shoham, Y.
Deposit date:2004-12-07
Release date:2005-10-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus.
J.Mol.Biol., 353, 2005
2C0A
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BU of 2c0a by Molmil
Mechanism of the Class I KDPG aldolase
Descriptor: KHG/KDPG ALDOLASE, PHOSPHATE ION
Authors:Hutchins, M.J, Fullerton, S.W.B, Toone, E.J, Naismith, J.H.
Deposit date:2005-08-29
Release date:2005-09-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
2BDL
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BU of 2bdl by Molmil
Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor
Descriptor: (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE, Cathepsin K
Authors:Shewchuk, L.M.
Deposit date:2005-10-20
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2BS9
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BU of 2bs9 by Molmil
Native crystal structure of a GH39 beta-xylosidase XynB1 from Geobacillus stearothermophilus
Descriptor: BETA-XYLOSIDASE, CALCIUM ION
Authors:Czjzek, M, Bravman, T, Henrissat, B, Shoham, Y.
Deposit date:2005-05-19
Release date:2005-10-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus.
J.Mol.Biol., 353, 2005
2AUC
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BU of 2auc by Molmil
Structure of the Plasmodium MTIP-MyoA complex, a key component of the parasite invasion motor
Descriptor: Myosin A, Myosin A Tail Interacting Protein
Authors:Bosch, J, Turley, S, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-08-27
Release date:2006-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the MTIP-MyoA complex, a key component of the malaria parasite invasion motor.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CFX
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BU of 2cfx by Molmil
Structure of B.subtilis LrpC
Descriptor: HTH-TYPE TRANSCRIPTIONAL REGULATOR LRPC
Authors:Thaw, P, Rafferty, J.B.
Deposit date:2006-02-24
Release date:2006-03-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight Into Gene Transcriptional Regulation and Effector Binding by the Lrp/Asnc Family.
Nucleic Acids Res., 34, 2006
4XRT
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BU of 4xrt by Molmil
Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway
Descriptor: FORMIC ACID, StfQ Aromatase/Cyclase
Authors:Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
Deposit date:2015-01-21
Release date:2015-12-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XRW
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BU of 4xrw by Molmil
Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL
Authors:Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
Deposit date:2015-01-21
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZBN
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BU of 4zbn by Molmil
Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-nerve growth factor, DNA (28-MER)
Authors:Davies, D.R, Edwards, T.E.
Deposit date:2015-04-15
Release date:2015-06-10
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor.
Structure, 23, 2015
4Z8D
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BU of 4z8d by Molmil
Antibacterial FabH Inhibitors with Validated Mode of Action in Haemophilus Influenzae by in vitro resistance mutation mapping
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, SULFATE ION, trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid
Authors:Lahiri, S.D.
Deposit date:2015-04-08
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
4ZMJ
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BU of 4zmj by Molmil
Crystal Structure of Ligand-Free BG505 SOSIP.664 HIV-1 Env Trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2015-05-04
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal structure, conformational fixation and entry-related interactions of mature ligand-free HIV-1 Env.
Nat.Struct.Mol.Biol., 22, 2015
5AK7
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BU of 5ak7 by Molmil
Structure of wt Porphyromonas gingivalis peptidylarginine deiminase
Descriptor: 1,2-ETHANEDIOL, ALANINE, ARGININE, ...
Authors:Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W.
Deposit date:2015-03-02
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis.
Ann.Rheum.Dis., 75, 2016
5BNM
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BU of 5bnm by Molmil
E. coli FabH with Small Molecule Inhibitor 1
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide, SULFATE ION, ...
Authors:Kazmirski, S.L, McKinney, D.C.
Deposit date:2015-05-26
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5AK8
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BU of 5ak8 by Molmil
Structure of C351A mutant of Porphyromonas gingivalis peptidylarginine deiminase
Descriptor: 1,2-ETHANEDIOL, ALANINE, ARGININE, ...
Authors:Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W.
Deposit date:2015-03-02
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis.
Ann.Rheum.Dis., 75, 2016

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數據於2024-06-26公開中

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