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4Q2Z
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BU of 4q2z by Molmil
Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE356, from a non-human primate
Descriptor: Heavy chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, Light chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody
Authors:Navis, M, Tran, K, Bale, S, Phad, G, Guenaga, J, Wilson, R, Soldemo, M, McKee, K, Sundling, C, Mascola, J, Li, Y, Wyatt, R.T, Hedestam, G.B.K.
Deposit date:2014-04-10
Release date:2014-09-17
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:HIV-1 Receptor Binding Site-Directed Antibodies Using a VH1-2 Gene Segment Orthologue Are Activated by Env Trimer Immunization.
Plos Pathog., 10, 2014
4Q3I
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BU of 4q3i by Molmil
Structure of the OsSERK2 leucine rich repeat extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, OsSERK2 D128N
Authors:McAndrew, R.P, Pruitt, R.N, Kamita, S.G, Pereira, J.H, Majumder, D, Hammock, B.D, Adams, P.D, Ronald, P.C.
Deposit date:2014-04-11
Release date:2014-11-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the OsSERK2 leucine-rich repeat extracellular domain.
Acta Crystallogr.,Sect.D, 70, 2014
5SX6
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BU of 5sx6 by Molmil
Crystal structure of the catalase-peroxidase KatG of B. pseudomallei at pH 6.5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-09
Release date:2016-08-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes.
Biochemistry, 45, 2006
5SX7
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BU of 5sx7 by Molmil
Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-09
Release date:2016-08-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes.
Biochemistry, 45, 2006
5SYX
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BU of 5syx by Molmil
Crystal structure of Burkholderia pseudomallei KatG variant W139F
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-12
Release date:2016-09-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Burkholderia pseudomallei KatG variant W139F
To be published
4Q5N
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BU of 4q5n by Molmil
Crystal structure of the gluthatione S-transferase Blo t 8
Descriptor: GLUTATHIONE, Gluthatione S-transferase Blo t 8 isoform
Authors:Pedersen, L.C, Mueller, G.A.
Deposit date:2014-04-17
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the gluthatione S-transferase Blo t 8
To be Published
4Q6A
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BU of 4q6a by Molmil
Staphylococcus aureus V31L, F98Y Mutant Dihydrofolate Reductase Complexed with NADPH
Descriptor: ACETATE ION, Dihydrofolate reductase, GLYCEROL, ...
Authors:Reeve, S.M, Anderson, A.C.
Deposit date:2014-04-21
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Protein design algorithms predict viable resistance to an experimental antifolate.
Proc.Natl.Acad.Sci.USA, 112, 2015
4Q7B
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BU of 4q7b by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure ([2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid) at 1.19 A
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-04-24
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
4LM7
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BU of 4lm7 by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with UMP
Descriptor: Nucleoprotein, URIDINE-5'-MONOPHOSPHATE
Authors:Lin, S.Y, Liu, C.L, Hou, M.H.
Deposit date:2013-07-10
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
1UTX
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BU of 1utx by Molmil
Regulation of Cytolysin Expression by Enterococcus faecalis: Role of CylR2
Descriptor: CYLR2, IODIDE ION, SODIUM ION
Authors:Razeto, A, Rumpel, S, Pillar, C.M, Gilmore, M.S, Becker, S, Zweckstetter, M.
Deposit date:2003-12-12
Release date:2004-09-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and DNA-Binding Properties of the Cytolysin Regulator CylR2 from Enterococcus Faecalis
Embo J., 23, 2004
5T5V
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BU of 5t5v by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 293K
Descriptor: FE (III) ION, Seed linoleate 13S-lipoxygenase-1
Authors:Poss, E.M, Fraser, J.S.
Deposit date:2016-08-31
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling.
ACS Cent Sci, 3, 2017
4Q9C
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BU of 4q9c by Molmil
IgNAR antibody domain C3
Descriptor: CHLORIDE ION, Novel antigen receptor, SODIUM ION, ...
Authors:Feige, J.M, Graewert, M.A, Marcinowski, M, Hennig, J, Behnke, J, Auslaender, D, Herold, E.M, Peschek, J, Castro, C.D, Flajnik, M.F, Hendershot, L.M, Sattler, M, Groll, M, Buchner, J.
Deposit date:2014-04-30
Release date:2014-07-02
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZU0
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BU of 3zu0 by Molmil
Structure of Haemophilus influenzae NAD nucleotidase (NadN)
Descriptor: NAD NUCLEOTIDASE, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Garavaglia, S, Bruzzone, S, Cassani, C, Canella, L, Allegrone, G, Sturla, L, Mannino, E, Millo, E, De Flora, A, Rizzi, M.
Deposit date:2011-07-13
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:The High-Resolution Crystal Structure of Periplasmic Haemophilus Influenzae Nad Nucleotidase Reveals a Novel Enzymatic Function of Human Cd73 Related to Nad Metabolism.
Biochem.J., 441, 2012
1Z3J
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BU of 1z3j by Molmil
Solution Structure of MMP12 in the presence of N-isobutyl-N-4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
Deposit date:2005-03-13
Release date:2005-04-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
5SW4
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BU of 5sw4 by Molmil
Crystal structure of native catalase-peroxidase KatG at pH8.0
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-08
Release date:2016-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases.
EMBO Rep., 6, 2005
1US0
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BU of 1us0 by Molmil
Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom
Descriptor: ALDOSE REDUCTASE, CITRIC ACID, IDD594, ...
Authors:Howard, E.I, Sanishvili, R, Cachau, R.E, Mitschler, A, Chevrier, B, Barth, P, Lamour, V, Van Zandt, M, Sibley, E, Bon, C, Moras, D, Schneider, T.R, Joachimiak, A, Podjarny, A.
Deposit date:2003-11-16
Release date:2004-05-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.66 Å)
Cite:Ultrahigh Resolution Drug Design I: Details of Interactions in Human Aldose Reductase-Inhibitor Complex at 0.66 A.
Proteins, 55, 2004
4LML
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BU of 4lml by Molmil
GLIC double mutant I9'A T25'A
Descriptor: Proton-gated ion channel
Authors:Grosman, C, Gonzalez-Gutierrez, G.
Deposit date:2013-07-10
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Gating of the proton-gated ion channel from Gloeobacter violaceus at pH 4 as revealed by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZVH
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BU of 3zvh by Molmil
Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant Q73A
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J.
Deposit date:2011-07-25
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids.
Nat.Chem., 4, 2012
4QEW
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BU of 4qew by Molmil
Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE)
Descriptor: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
Authors:Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
Deposit date:2014-05-19
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
1UOE
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BU of 1uoe by Molmil
Crystal structure of the dihydroxyacetone kinase from E. coli in complex with glyceraldehyde
Descriptor: DIHYDROXYACETONE KINASE, GLYCEROL, SULFATE ION
Authors:Siebold, C, Garcia-Alles, L.F, Luthi-Nyffeler, T, Flukiger-Bruhwiler, K, Burgi, H.-B, Baumann, U, Erni, B.
Deposit date:2003-09-16
Release date:2004-09-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphoenolpyruvate- and ATP-Dependent Dihydroxyacetone Kinases: Covalent Substrate-Binding and Kinetic Mechanism
Biochemistry, 43, 2004
3ZLM
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BU of 3zlm by Molmil
Fic protein from Neisseria meningitidis mutant E186G in complex with AMPPNP
Descriptor: ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE NMFIC, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Goepfert, A, Schirmer, T.
Deposit date:2013-02-01
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conserved Inhibitory Mechanism and Competent ATP Binding Mode for Adenylyltransferases with Fic Fold.
Plos One, 8, 2013
1V0A
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BU of 1v0a by Molmil
Family 11 Carbohydrate-Binding Module of cellulosomal cellulase Lic26A-Cel5E of Clostridium thermocellum
Descriptor: CALCIUM ION, ENDOGLUCANASE H, SULFATE ION
Authors:Carvalho, A.L, Romao, M.J, Goyal, A, Prates, J.A.M, Pires, V.M.R, Ferreira, L.M.A, Bolam, D.N, Gilbert, H.J, Fontes, C.M.G.A.
Deposit date:2004-03-25
Release date:2005-01-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Family 11 Carbohydrate-Binding Module of Clostridium Thermocellum Lic26A-Cel5E Accomodates Beta-1,4- and Beta-1,3-1,4-Mixed Linked Glucans at a Single Binding Site
J.Biol.Chem., 279, 2004
3ZVZ
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BU of 3zvz by Molmil
PHD finger of human UHRF1
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ZINC ION
Authors:Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P.
Deposit date:2011-07-28
Release date:2011-11-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers.
Plos One, 6, 2011
1YXS
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BU of 1yxs by Molmil
Crystal Structure of Kinase Pim1 with P123M mutation
Descriptor: IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Kumar, A, Mandiyan, V, Suzuki, Y, Zhang, C, Rice, J, Tsai, J, Artis, D.R, Ibrahim, P, Bremer, R.
Deposit date:2005-02-22
Release date:2005-04-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of proto-oncogene kinase Pim1: a target of aberrant somatic hypermutations in diffuse large cell lymphoma.
J.Mol.Biol., 348, 2005
1UOD
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BU of 1uod by Molmil
Crystal structure of the dihydroxyacetone kinase from E. coli in complex with dihydroxyacetone-phosphate
Descriptor: DIHYDROXYACETONE KINASE, GLYCERALDEHYDE-3-PHOSPHATE, SULFATE ION
Authors:Siebold, C, Garcia-Alles, L.F, Luthi-Nyffeler, T, Flukiger-Bruhwiler, K, Burgi, H.-B, Baumann, U, Erni, B.
Deposit date:2003-09-16
Release date:2004-09-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphoenolpyruvate- and ATP-Dependent Dihydroxyacetone Kinases: Covalent Substrate-Binding and Kinetic Mechanism
Biochemistry, 43, 2004

236963

数据于2025-06-04公开中

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