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1RHK
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Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
Descriptor: Caspase-3, acetyl-asp-glu-val-fpr
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHR
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR
Descriptor: (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1ZPL
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BU of 1zpl by Molmil
E. coli F17a-G lectin domain complex with GlcNAc(beta1-O)Me
Descriptor: F17a-G, methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J.
Deposit date:2005-05-17
Release date:2006-05-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Impact of natural variation in bacterial F17G adhesins on crystallization behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
5UGY
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Influenza hemagglutinin in complex with a neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH65 heavy chain, ...
Authors:Whittle, J.R.R, Jenni, S, Harrison, S.C.
Deposit date:2017-01-10
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Broadly neutralizing human antibody that recognizes the receptor-binding pocket of influenza virus hemagglutinin.
Proc. Natl. Acad. Sci. U.S.A., 108, 2011
2R5R
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BU of 2r5r by Molmil
The crystal structure of DUF198 from Nitrosomonas europaea ATCC 19718
Descriptor: IMIDAZOLE, PHOSPHATE ION, UPF0343 protein NE1163
Authors:Tan, K, Wu, R, Nocek, B, Bigelow, L, Patterson, S, Freeman, L, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-09-04
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The crystal structure of DUF198 from Nitrosomonas europaea ATCC 19718.
To be Published
1RRY
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BU of 1rry by Molmil
DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine
Descriptor: 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase
Authors:Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A.
Deposit date:2003-12-09
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
4GPD
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BU of 4gpd by Molmil
THE STRUCTURE OF LOBSTER APO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE AT 3.0 ANGSTROMS RESOLUTION
Descriptor: APO-D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE
Authors:Griffith, J.P, Song, S, Rossmann, M.G.
Deposit date:1988-01-04
Release date:1989-07-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of lobster apo-D-glyceraldehyde-3-phosphate dehydrogenase at 3.0 A resolution.
J.Mol.Biol., 138, 1980
5UIX
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BU of 5uix by Molmil
Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial
Descriptor: DH576 Fab heavy chain, DH576 Fab light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2017-01-15
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Boosting of HIV envelope CD4 binding site antibodies with long variable heavy third complementarity determining region in the randomized double blind RV305 HIV-1 vaccine trial.
PLoS Pathog., 13, 2017
1SOJ
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BU of 1soj by Molmil
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, cGMP-inhibited 3',5'-cyclic phosphodiesterase B
Authors:Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
Deposit date:2004-03-15
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
1SO2
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR
Descriptor: 1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL, 6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE, MAGNESIUM ION, ...
Authors:Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
Deposit date:2004-03-12
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
5UNH
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Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide)
Descriptor: N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor
Authors:Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
Deposit date:2017-01-30
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
1SID
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BU of 1sid by Molmil
MURINE POLYOMAVIRUS COMPLEXED WITH 3'SIALYL LACTOSE
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, POLYOMAVIRUS COAT PROTEIN VP1
Authors:Stehle, T, Harrison, S.C.
Deposit date:1995-12-12
Release date:1996-06-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Crystal structures of murine polyomavirus in complex with straight-chain and branched-chain sialyloligosaccharide receptor fragments.
Structure, 4, 1996
2CDO
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BU of 2cdo by Molmil
structure of agarase carbohydrate binding module in complex with neoagarohexaose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ...
Authors:Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J.
Deposit date:2006-01-25
Release date:2006-02-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
2B6O
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BU of 2b6o by Molmil
Electron crystallographic structure of lens Aquaporin-0 (AQP0) (lens MIP) at 1.9A resolution, in a closed pore state
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Lens fiber major intrinsic protein
Authors:Gonen, T, Cheng, Y, Sliz, P, Hiroaki, Y, Fujiyoshi, Y, Harrison, S.C, Walz, T.
Deposit date:2005-10-03
Release date:2005-12-06
Last modified:2023-08-23
Method:ELECTRON CRYSTALLOGRAPHY (1.9 Å)
Cite:Lipid-protein interactions in double-layered two-dimensional AQP0 crystals.
Nature, 438, 2005
2MTU
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BU of 2mtu by Molmil
Non-reducible analogues of alpha-conotoxin RgIA: [3,12]-trans dicarba RgIA
Descriptor: Dicarba Analogues of alpha-Conotoxin RgIA
Authors:Chhabra, S, Robinson, S.D, Norton, R.S.
Deposit date:2014-09-01
Release date:2014-11-26
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets.
J.Med.Chem., 57, 2014
1JMU
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BU of 1jmu by Molmil
Crystal Structure of the Reovirus mu1/sigma3 Complex
Descriptor: CHLORIDE ION, PROTEIN MU-1, SIGMA 3 PROTEIN, ...
Authors:Liemann, S, Nibert, M.L, Harrison, S.C.
Deposit date:2001-07-20
Release date:2002-02-06
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the reovirus membrane-penetration protein, Mu1, in a complex with is protector protein, Sigma3.
Cell(Cambridge,Mass.), 108, 2002
1T4N
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BU of 1t4n by Molmil
Solution structure of Rnt1p dsRBD
Descriptor: Ribonuclease III
Authors:Leulliot, N, Quevillon-Cheruel, S, Graille, M, van Tilbeurgh, H, Leeper, T.C, Godin, K.S, Edwards, T.E, Sigurdsson, S.T, Rozenkrants, N, Nagel, R.J, Ares, M, Varani, G.
Deposit date:2004-04-30
Release date:2004-07-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A new alpha-helical extension promotes RNA binding by the dsRBD of Rnt1p RNAse III
Embo J., 23, 2004
1T4O
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Crystal structure of rnt1p dsRBD
Descriptor: Ribonuclease III
Authors:Leulliot, N, Quevillon-Cheruel, S, Graille, M, van Tilbeurgh, H, Leeper, T.C, Godin, K.S, Edwards, T.E, Sigurdsson, S.T, Rozenkrants, N, Nagel, R.J, Ares Jr, M, Varani, G.
Deposit date:2004-04-30
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new alpha-helical extension promotes RNA binding by the dsRBD of Rnt1p RNAse III
Embo J., 23, 2004
1SVA
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BU of 1sva by Molmil
SIMIAN VIRUS 40
Descriptor: SIMIAN VIRUS 40
Authors:Stehle, T, Gamblin, S.J, Harrison, S.C.
Deposit date:1995-11-27
Release date:1996-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structure of simian virus 40 refined at 3.1 A resolution.
Structure, 4, 1996
1PBW
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BU of 1pbw by Molmil
STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE
Authors:Musacchio, A, Cantley, L.C, Harrison, S.C.
Deposit date:1996-10-17
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the breakpoint cluster region-homology domain from phosphoinositide 3-kinase p85 alpha subunit.
Proc.Natl.Acad.Sci.USA, 93, 1996
2QQY
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BU of 2qqy by Molmil
Crystal structure of ferritin like, diiron-carboxylate proteins from Bacillus anthracis str. Ames
Descriptor: Sigma B operon
Authors:Kim, Y, Joachimiak, G, Wu, R, Patterson, S, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-07-27
Release date:2007-08-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Ferritin like, Diiron-carboxylate Proteins from Bacillus anthracis str. Ames.
To be Published
1BY8
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BU of 1by8 by Molmil
THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K
Descriptor: PROTEIN (PROCATHEPSIN K)
Authors:Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
Deposit date:1998-10-27
Release date:1999-10-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of human procathepsin K.
Biochemistry, 38, 1999
1GXC
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BU of 1gxc by Molmil
FHA domain from human Chk2 kinase in complex with a synthetic phosphopeptide
Descriptor: SERINE/THREONINE-PROTEIN KINASE CHK2, SYNTHETIC PHOSPHOPEPTIDE
Authors:Li, J, Williams, B.L, Haire, L.F, Goldberg, M, Wilker, E, Durocher, D, Yaffe, M.B, Jackson, S.P, Smerdon, S.J.
Deposit date:2002-04-02
Release date:2002-06-13
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Functional Versatility of the Fha Domain in DNA-Damage Signaling by the Tumor Suppressor Kinase Chk2
Mol.Cell, 9, 2002
1BP4
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USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES.
Descriptor: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN
Authors:Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
Deposit date:1998-08-12
Release date:1999-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998
2JAS
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BU of 2jas by Molmil
Structure of deoxyadenosine kinase from M.mycoides with bound dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DEOXYGUANOSINE KINASE, MAGNESIUM ION
Authors:Welin, M, Wang, L, Eriksson, S, Eklund, H.
Deposit date:2006-11-30
Release date:2007-01-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Function Analysis of a Bacterial Deoxyadenosine Kinase Reveals the Basis for Substrate Specificity.
J.Mol.Biol., 366, 2007

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