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3EOB
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Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form II
Descriptor: Efalizumab Fab fragment, heavy chain, light chain, ...
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
3ETB
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BU of 3etb by Molmil
Crystal structure of the engineered neutralizing antibody M18 complexed with anthrax protective antigen domain 4
Descriptor: Anthrax Protective Antigen, Antibody M18 light chain and antibody M18 heavy chain linked with a synthetic (GGGGS)4 linker
Authors:Monzingo, A.F, Leysath, C.E, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D.
Deposit date:2008-10-07
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of the engineered neutralizing antibody M18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
6QUL
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BU of 6qul by Molmil
Structure of a bacterial 50S ribosomal subunit in complex with the novel quinoxolidinone antibiotic cadazolid
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Scaiola, A, Leibundgut, M, Boehringer, D, Ritz, D.
Deposit date:2019-02-27
Release date:2019-04-10
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic.
Sci Rep, 9, 2019
2N0A
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BU of 2n0a by Molmil
Atomic-resolution structure of alpha-synuclein fibrils
Descriptor: Alpha-synuclein
Authors:Tuttle, M.D, Comellas, G, Nieuwkoop, A.J, Covell, D.J, Berthold, D.A, Kloepper, K.D, Courtney, J.M, Kim, J.K, Schwieters, C.D, Lee, V.M, George, J.M, Rienstra, C.M.
Deposit date:2015-03-04
Release date:2016-03-23
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Solid-state NMR structure of a pathogenic fibril of full-length human alpha-synuclein.
Nat.Struct.Mol.Biol., 23, 2016
1IHH
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BU of 1ihh by Molmil
2.4 ANGSTROM CRYSTAL STRUCTURE OF AN OXALIPLATIN 1,2-D(GPG) INTRASTRAND CROSS-LINK IN A DNA DODECAMER DUPLEX
Descriptor: 1R,2R-DIAMINOCYCLOHEXANE, 5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3', ...
Authors:Spingler, B, Whittington, D.A, Lippard, S.J.
Deposit date:2001-04-19
Release date:2001-10-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2.4 A crystal structure of an oxaliplatin 1,2-d(GpG) intrastrand cross-link in a DNA dodecamer duplex.
Inorg.Chem., 40, 2001
3EOA
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BU of 3eoa by Molmil
Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form I
Descriptor: Efalizumab Fab fragment, heavy chain, light chain, ...
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FH7
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BU of 3fh7 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
Descriptor: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
4Y14
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BU of 4y14 by Molmil
Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide, CHLORIDE ION, ...
Authors:Choy, M.S, Connors, C, Page, R, Peti, W.
Deposit date:2015-02-06
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:PTP1B inhibition suggests a therapeutic strategy for Rett syndrome.
J.Clin.Invest., 125, 2015
1AGY
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BU of 1agy by Molmil
The 1.15 angstrom refined structure of fusarium solani pisi cutinase
Descriptor: CUTINASE
Authors:Nicolas, A, Martinez, C, Cambillau, C.
Deposit date:1997-03-26
Release date:1998-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Atomic resolution (1.0 A) crystal structure of Fusarium solani cutinase: stereochemical analysis.
J.Mol.Biol., 268, 1997
6RFT
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BU of 6rft by Molmil
Crystal structure of Eis2 from Mycobacterium abscessus bound to Acetyl-CoA
Descriptor: ACETYL COENZYME *A, Uncharacterized N-acetyltransferase D2E36_21790
Authors:Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
Deposit date:2019-04-16
Release date:2019-07-10
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
6LHB
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BU of 6lhb by Molmil
The cryo-EM structure of coxsackievirus A16 A-particle
Descriptor: VP1, VP2, VP3
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-07
Release date:2020-02-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
4XQA
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BU of 4xqa by Molmil
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0462
Descriptor: (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ...
Authors:Stehle, T, Liaci, A.M.
Deposit date:2015-01-19
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4072 Å)
Cite:Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
6LHC
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BU of 6lhc by Molmil
The cryo-EM structure of coxsackievirus A16 empty particle
Descriptor: VP1, VP2, VP3
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-07
Release date:2020-02-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHL
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BU of 6lhl by Molmil
The cryo-EM structure of coxsackievirus A16 A-particle in complex with Fab 18A7
Descriptor: VP1 protein, VP2 protein, VP3 protein
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-09
Release date:2020-02-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
3F8S
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BU of 3f8s by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
Descriptor: 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ammirati, M.J, Liu, S, Piotrowski, D.W.
Deposit date:2008-11-13
Release date:2009-06-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:(3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor.
Bioorg.Med.Chem.Lett., 19, 2009
6RKZ
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BU of 6rkz by Molmil
Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II
Descriptor: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
Deposit date:2019-04-30
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ROR
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BU of 6ror by Molmil
REP related 18-mer DNA
Descriptor: REP related 18-mer DNA from C. hominis, STRONTIUM ION
Authors:Kolenko, P, Svoboda, J, Schneider, B.
Deposit date:2019-05-13
Release date:2020-07-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
6ROS
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BU of 6ros by Molmil
REP related 18-mer DNA
Descriptor: REP related 18-mer DNA from C. hominis, STRONTIUM ION
Authors:Kolenko, P, Svoboda, J, Schneider, B.
Deposit date:2019-05-13
Release date:2020-07-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
1JCP
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BU of 1jcp by Molmil
Solution structure of the lactam analogue EDap of HIV gp41 600-612 loop.
Descriptor: Edap : ACE-Ile-Trp-Glu-Ser-Gly-Lys-Leu-Ile-Dap-Thr-Thr-Ala ANALOGUE OF HIV GP41
Authors:Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S.
Deposit date:2001-06-11
Release date:2003-07-01
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
1JC8
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BU of 1jc8 by Molmil
Solution structure of lactam analogue (DDap) of gp41 600-612 loop of HIV
Descriptor: DDap: (ACE)IWGDSGKLI(DNP)TTA ANALOGUE OF HIV GP41
Authors:Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S.
Deposit date:2001-06-08
Release date:2003-07-01
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
J.Mol.Biol., 323, 2002
6RFX
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BU of 6rfx by Molmil
Crystal structure of Eis2 from Mycobacterium abscessus
Descriptor: ACETATE ION, CITRIC ACID, Eis2, ...
Authors:Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
Deposit date:2019-04-16
Release date:2019-07-10
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
6LHP
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BU of 6lhp by Molmil
The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 14B10
Descriptor: SPHINGOSINE, VP1 protein, VP2 protein, ...
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-09
Release date:2020-02-05
Last modified:2020-02-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LJ9
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BU of 6lj9 by Molmil
Crystal Structure of Se-Met ASFV pS273R protease
Descriptor: Cysteine protease S273R
Authors:Li, G.B, Liu, X.X, Chen, C, Guo, Y.
Deposit date:2019-12-13
Release date:2020-02-26
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
3FH8
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BU of 3fh8 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
Descriptor: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH5
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BU of 3fh5 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
Descriptor: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010

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