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3RML
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BU of 3rml by Molmil
Human Thrombin in complex with MI331
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-04-21
Release date:2012-04-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
2QTJ
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BU of 2qtj by Molmil
Solution structure of human dimeric immunoglobulin A
Descriptor: Ig alpha-1 chain C region, Kappa light chain IgA1
Authors:Bonner, A, Furtado, P.B, Almogren, A, Kerr, M.A, Perkins, S.J.
Deposit date:2007-08-02
Release date:2008-01-22
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Implications of the near-planar solution structure of human myeloma dimeric IgA1 for mucosal immunity and IgA nephropathy
J.Immunol., 180, 2008
3RMS
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BU of 3rms by Molmil
Crystal structure of uncharacterized protein Svir_20580 from Saccharomonospora viridis
Descriptor: GLYCEROL, ZINC ION, uncharacterized protein
Authors:Michalska, K, Weger, A, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-21
Release date:2011-05-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Crystal structure of uncharacterized protein Svir_20580 from Saccharomonospora viridis
To be Published
2R09
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BU of 2r09 by Molmil
Crystal Structure of Autoinhibited Form of Grp1 Arf GTPase Exchange Factor
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Cytohesin-3, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ...
Authors:DiNitto, J.P, Delprato, A, Gabe Lee, M.T, Cronin, T.C, Huang, S, Guilherme, A, Czech, M.P, Lambright, D.G.
Deposit date:2007-08-17
Release date:2007-12-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis and Mechanism of Autoregulation in 3-Phosphoinositide-Dependent Grp1 Family Arf GTPase Exchange Factors.
Mol.Cell, 28, 2007
1X96
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BU of 1x96 by Molmil
Crystal structure of Aldose Reductase with citrates bound in the active site
Descriptor: CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
Authors:El-Kabbani, O, Darmanin, C, Oka, M, Schulze-Briese, C, Tomizaki, T, Hazemann, I, Mitschler, A, Podjarny, A.
Deposit date:2004-08-19
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor
J.Med.Chem., 47, 2004
4FU5
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BU of 4fu5 by Molmil
Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-28
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:HIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders
To be Published
4GKH
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BU of 4gkh by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NA-PP1
Descriptor: 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-11
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.863 Å)
Cite:Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
2CXS
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BU of 2cxs by Molmil
Crystal structure of mouse AMF / F6P complex
Descriptor: 6-O-phosphono-beta-D-fructofuranose, GLYCEROL, Glucose-6-phosphate isomerase
Authors:Tanaka, N, Haga, A, Naba, N, Shiraiwa, K, Kusakabe, Y, Hashimoto, K, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T.
Deposit date:2005-06-30
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of mouse autocrine motility factor in complex with carbohydrate phosphate inhibitors provide insight into structure-activity relationship of the inhibitors
J.Mol.Biol., 356, 2006
1X7K
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BU of 1x7k by Molmil
PV5 nmr solution structure
Descriptor: Polyphemusin I
Authors:Powers, J.P, Tan, A, Ramamoorthy, A, Hancock, R.E.
Deposit date:2004-08-14
Release date:2005-07-26
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure and interaction of the antimicrobial polyphemusins with lipid membranes
Biochemistry, 44, 2005
1X9A
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BU of 1x9a by Molmil
Solution NMR Structure of Protein Tm0979 from Thermotoga maritima. Ontario Center for Structural Proteomics Target TM0979_1_87; Northeast Structural Genomics Consortium Target VT98.
Descriptor: hypothetical protein TM0979
Authors:Gaspar, J.A, Liu, C, Vassall, K.A, Stathopulos, P.B, Meglei, G, Stephen, R, Pineda-Lucena, A, Wu, B, Yee, A, Arrowsmith, C.H, Meiering, E.M, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-08-20
Release date:2004-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A novel member of the YchN-like fold: solution structure of the hypothetical protein Tm0979 from Thermotoga maritima.
Protein Sci., 14, 2005
1W1Q
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BU of 1w1q by Molmil
Plant Cytokinin Dehydrogenase in Complex with Isopentenyladenine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKININ DEHYDROGENASE 1, ...
Authors:Malito, E, Mattevi, A.
Deposit date:2004-06-23
Release date:2004-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis
J.Mol.Biol., 341, 2004
3R4S
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BU of 3r4s by Molmil
Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules
Descriptor: Botulinum neurotoxin type C1, N-acetyl-alpha-neuraminic acid, N-acetyl-beta-neuraminic acid
Authors:Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T.
Deposit date:2011-03-17
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites.
Mol.Microbiol., 81, 2011
1XDS
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BU of 1xds by Molmil
Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with S-adenosyl-L-methionine (SAM) and 11-deoxy-beta-rhodomycin (DbrA)
Descriptor: 11-DEOXY-BETA-RHODOMYCIN, Protein RdmB, S-ADENOSYLMETHIONINE
Authors:Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J, Structural Proteomics in Europe (SPINE)
Deposit date:2004-09-08
Release date:2004-11-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor
J.Biol.Chem., 280, 2005
1XDU
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BU of 1xdu by Molmil
Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with Sinefungin (SFG)
Descriptor: ACETATE ION, Protein RdmB, SINEFUNGIN
Authors:Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J.
Deposit date:2004-09-08
Release date:2004-11-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor
J.Biol.Chem., 280, 2005
3RLY
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BU of 3rly by Molmil
Human Thrombin in complex with MI329
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
2HWG
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BU of 2hwg by Molmil
Structure of phosphorylated Enzyme I of the phosphoenolpyruvate:sugar phosphotransferase system
Descriptor: MAGNESIUM ION, OXALATE ION, Phosphoenolpyruvate-protein phosphotransferase
Authors:Lim, K, Teplyakov, A, Herzberg, O.
Deposit date:2006-08-01
Release date:2006-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of phosphorylated enzyme I, the phosphoenolpyruvate:sugar phosphotransferase system sugar translocation signal protein.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2A9N
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BU of 2a9n by Molmil
A Mutation Designed to Alter Crystal Packing Permits Structural Analysis of a Tight-binding Fluorescein-scFv complex
Descriptor: 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID, fluorescein-scfv
Authors:Cambillau, C, Spinelli, S, Honegger, A, Pluckthun, A.
Deposit date:2005-07-12
Release date:2005-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:A mutation designed to alter crystal packing permits structural analysis of a tight-binding fluorescein-scFv complex.
Protein Sci., 14, 2005
4J7Z
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BU of 4j7z by Molmil
Thermus thermophilus DNAJ J- and G/F-DOMAINS
Descriptor: Chaperone protein DnaJ 2, GLYCEROL
Authors:Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J.
Deposit date:2013-02-14
Release date:2013-07-31
Last modified:2024-02-28
Method:EPR (1.64 Å), X-RAY DIFFRACTION
Cite:Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ.
Acta Crystallogr.,Sect.D, 69, 2013
1ZZ1
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BU of 1zz1 by Molmil
Crystal structure of a HDAC-like protein with SAHA bound
Descriptor: Histone deacetylase-like amidohydrolase, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ...
Authors:Nielsen, T.K, Hildmann, C, Dickmanns, A, Schwienhorst, A, Ficner, R.
Deposit date:2005-06-13
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of a bacterial class 2 histone deacetylase homologue
J.Mol.Biol., 354, 2005
2QQ4
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BU of 2qq4 by Molmil
Crystal structure of Iron-sulfur cluster biosynthesis protein IscU (TTHA1736) from thermus thermophilus HB8
Descriptor: Iron-sulfur cluster biosynthesis protein IscU, ZINC ION
Authors:Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-07-26
Release date:2008-07-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Iron-sulfur cluster biosynthesis protein IscU (TTHA1736) from thermus thermophilus HB8
To be Published
2CXR
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BU of 2cxr by Molmil
Crystal structure of mouse AMF / 6PG complex
Descriptor: 6-PHOSPHOGLUCONIC ACID, GLYCEROL, Glucose-6-phosphate isomerase
Authors:Tanaka, N, Haga, A, Naba, N, Shiraiwa, K, Kusakabe, Y, Hashimoto, K, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T.
Deposit date:2005-06-30
Release date:2006-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of mouse autocrine motility factor in complex with carbohydrate phosphate inhibitors provide insight into structure-activity relationship of the inhibitors
J.Mol.Biol., 356, 2006
2CYG
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BU of 2cyg by Molmil
Crystal structure at 1.45- resolution of the major allergen endo-beta-1,3-glucanase of banana as a molecular basis for the latex-fruit syndrome
Descriptor: beta-1, 3-glucananse
Authors:Receveur-Brechot, V, Czjzek, M, Barre, A, Roussel, A, Peumans, W.J, Van Damme, E.J.M, Rouge, P.
Deposit date:2005-07-07
Release date:2005-11-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure at 1.45-A resolution of the major allergen endo-beta-1,3-glucanase of banana as a molecular basis for the latex-fruit syndrome
Proteins, 63, 2006
2A5J
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BU of 2a5j by Molmil
Crystal Structure of Human RAB2B
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-2B
Authors:Dong, A, Wang, J, Shen, Y, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2005-06-30
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Crystal structure of human RAB2B
To be Published
4JL0
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BU of 4jl0 by Molmil
Crystal structure of PcrH in complex with the chaperone binding region of PopB
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PopB, Regulatory protein PcrH
Authors:Discola, K.F, Forster, A, Simorre, J.P, Attree, I, Dessen, A, Job, V.
Deposit date:2013-03-12
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Membrane and Chaperone Recognition by the Major Translocator Protein PopB of the Type III Secretion System of Pseudomonas aeruginosa.
J.Biol.Chem., 289, 2014
1LX7
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BU of 1lx7 by Molmil
Structure of E. coli uridine phosphorylase at 2.0A
Descriptor: uridine phosphorylase
Authors:Burling, T, Buglino, J.A, Kniewel, R, Chadna, T, Beckwith, A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-06-04
Release date:2002-06-12
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Escherichia coli uridine phosphorylase at 2.0 A.
Acta Crystallogr.,Sect.D, 59, 2003

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