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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
分子名称: Heavy chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, Light chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody
著者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.
登録日2014-04-10
公開日2014-09-17
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, OsSERK2 D128N
著者McAndrew, R.P, Pruitt, R.N, Kamita, S.G, Pereira, J.H, Majumder, D, Hammock, B.D, Adams, P.D, Ronald, P.C.
登録日2014-04-11
公開日2014-11-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-09
公開日2016-08-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-09
公開日2016-08-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-12
公開日2016-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
分子名称: GLUTATHIONE, Gluthatione S-transferase Blo t 8 isoform
著者Pedersen, L.C, Mueller, G.A.
登録日2014-04-17
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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
分子名称: ACETATE ION, Dihydrofolate reductase, GLYCEROL, ...
著者Reeve, S.M, Anderson, A.C.
登録日2014-04-21
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献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
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-04-24
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献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
分子名称: Nucleoprotein, URIDINE-5'-MONOPHOSPHATE
著者Lin, S.Y, Liu, C.L, Hou, M.H.
登録日2013-07-10
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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
分子名称: CYLR2, IODIDE ION, SODIUM ION
著者Razeto, A, Rumpel, S, Pillar, C.M, Gilmore, M.S, Becker, S, Zweckstetter, M.
登録日2003-12-12
公開日2004-09-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: FE (III) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S.
登録日2016-08-31
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: CHLORIDE ION, Novel antigen receptor, SODIUM ION, ...
著者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.
登録日2014-04-30
公開日2014-07-02
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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)
分子名称: NAD NUCLEOTIDASE, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Garavaglia, S, Bruzzone, S, Cassani, C, Canella, L, Allegrone, G, Sturla, L, Mannino, E, Millo, E, De Flora, A, Rizzi, M.
登録日2011-07-13
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献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)
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
登録日2005-03-13
公開日2005-04-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-08
公開日2016-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: ALDOSE REDUCTASE, CITRIC ACID, IDD594, ...
著者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.
登録日2003-11-16
公開日2004-05-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.66 Å)
主引用文献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
分子名称: Proton-gated ion channel
著者Grosman, C, Gonzalez-Gutierrez, G.
登録日2013-07-10
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献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
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者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.
登録日2011-07-25
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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)
分子名称: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: DIHYDROXYACETONE KINASE, GLYCEROL, SULFATE ION
著者Siebold, C, Garcia-Alles, L.F, Luthi-Nyffeler, T, Flukiger-Bruhwiler, K, Burgi, H.-B, Baumann, U, Erni, B.
登録日2003-09-16
公開日2004-09-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphoenolpyruvate- and ATP-Dependent Dihydroxyacetone Kinases: Covalent Substrate-Binding and Kinetic Mechanism
Biochemistry, 43, 2004
1V0A
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BU of 1v0a by Molmil
Family 11 Carbohydrate-Binding Module of cellulosomal cellulase Lic26A-Cel5E of Clostridium thermocellum
分子名称: CALCIUM ION, ENDOGLUCANASE H, SULFATE ION
著者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.
登録日2004-03-25
公開日2005-01-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
3ZLM
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BU of 3zlm by Molmil
Fic protein from Neisseria meningitidis mutant E186G in complex with AMPPNP
分子名称: ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE NMFIC, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Goepfert, A, Schirmer, T.
登録日2013-02-01
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conserved Inhibitory Mechanism and Competent ATP Binding Mode for Adenylyltransferases with Fic Fold.
Plos One, 8, 2013
3ZVZ
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BU of 3zvz by Molmil
PHD finger of human UHRF1
分子名称: E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ZINC ION
著者Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P.
登録日2011-07-28
公開日2011-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献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
分子名称: IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Kumar, A, Mandiyan, V, Suzuki, Y, Zhang, C, Rice, J, Tsai, J, Artis, D.R, Ibrahim, P, Bremer, R.
登録日2005-02-22
公開日2005-04-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: DIHYDROXYACETONE KINASE, GLYCERALDEHYDE-3-PHOSPHATE, SULFATE ION
著者Siebold, C, Garcia-Alles, L.F, Luthi-Nyffeler, T, Flukiger-Bruhwiler, K, Burgi, H.-B, Baumann, U, Erni, B.
登録日2003-09-16
公開日2004-09-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphoenolpyruvate- and ATP-Dependent Dihydroxyacetone Kinases: Covalent Substrate-Binding and Kinetic Mechanism
Biochemistry, 43, 2004

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