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8B21
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BU of 8b21 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+
分子名称: DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ...
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B37
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BU of 8b37 by Molmil
Crystal structure of Pyrobaculum aerophilum potassium-independent proton pumping membrane integral pyrophosphatase in complex with imidodiphosphate and magnesium, and with bound sulphate
分子名称: IMIDODIPHOSPHORIC ACID, K(+)-insensitive pyrophosphate-energized proton pump, MAGNESIUM ION, ...
著者Strauss, J, Wilkinson, C, Vidilaseris, K, Ribeiro, O, Liu, J, Hillier, J, Malinen, A, Gehl, B, Jeuken, L.C, Pearson, A.R, Goldman, A.
登録日2022-09-16
公開日2024-01-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.84 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
6HS3
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BU of 6hs3 by Molmil
Crystal structure of an ABC transporter related protein from Burkholderia pseudomallei
分子名称: ABC transporter family protein, CHLORIDE ION
著者Pankov, G, Hunter, W.N, Dawson, A.
登録日2018-09-28
公開日2018-11-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of lipopolysaccharide transport protein B (LptB) from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 75, 2019
1GJY
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BU of 1gjy by Molmil
The X-ray structure of the Sorcin Calcium Binding Domain (SCBD) provides insight into the phosphorylation and calcium dependent processess
分子名称: SORCIN, SULFATE ION
著者Ilari, A, Johnson, K.A, Nastopoulos, V, Tsernoglou, D, Chiancone, E.
登録日2001-08-06
公開日2002-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of the Sorcin Calcium Binding Domain Provides a Model of Ca(2+)-Dependent Processes in the Full-Length Protein
J.Mol.Biol., 317, 2002
2WZ7
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BU of 2wz7 by Molmil
Crystal structure of the N-terminal domain of E.coli YbgF
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Krachler, A.M, Sharma, A, Kleanthous, C.
登録日2009-11-24
公開日2010-09-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Tola Modulates the Oligomeric Status of Ybgf in the Bacterial Periplasm.
J.Mol.Biol., 403, 2010
3FLF
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BU of 3flf by Molmil
Thermolysin inhibition
分子名称: CALCIUM ION, GLYCEROL, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-valyl-L-leucine, ...
著者Englert, L, Biela, A, Heine, A, Klebe, G.
登録日2008-12-18
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800, 2010
6NDQ
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BU of 6ndq by Molmil
Crystal structure of a LPMO from Kitasatospora papulosa
分子名称: lytic polysaccharide monooxygenase
著者Correa, T.L.C, Tomazini Jr, A, Murakami, M.T.
登録日2018-12-14
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal structure of a LPMO from Kitasatospora papulosa
To Be Published
4J2H
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BU of 4j2h by Molmil
Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
分子名称: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ...
著者Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-02-04
公開日2013-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
to be published
6NB5
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BU of 6nb5 by Molmil
Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment
分子名称: LCA60 antigen-binding (Fab) fragment, heavy chain, light chain
著者Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-06
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
1FXU
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BU of 1fxu by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE FROM CALF SPLEEN IN COMPLEX WITH N(7)-ACYCLOGUANOSINE INHIBITOR AND A PHOSPHATE ION
分子名称: 2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Luic, M, Bzowska, A, Shugar, D, Saenger, W, Koellner, G.
登録日2000-09-27
公開日2000-10-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Calf spleen purine nucleoside phosphorylase: structure of its ternary complex with an N(7)-acycloguanosine inhibitor and a phosphate anion.
Acta Crystallogr.,Sect.D, 57, 2001
4JB3
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BU of 4jb3 by Molmil
Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
分子名称: GLYCEROL, Haloacid dehalogenase-like hydrolase, SODIUM ION
著者Vetting, M.W, Toro, R, Bhosle, R, Kumar, P.R, Ghosh, A, Al Obaidi, N.F, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-02-19
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of bt_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
To be Published
4JBE
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BU of 4jbe by Molmil
1.95 Angstrom Crystal Structure of Gamma-glutamyl phosphate Reductase from Saccharomonospora viridis.
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, ...
著者Minasov, G, Filippova, E.V, Halavaty, A, Shuvalova, L, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2013-02-19
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献1.95 Angstrom Crystal Structure of Gamma-glutamyl phosphate Reductase from Saccharomonospora viridis.
TO BE PUBLISHED
6GAA
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BU of 6gaa by Molmil
BACTERIORHODOPSIN, 430 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
3P0F
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BU of 3p0f by Molmil
Structure of hUPP2 in an inactive conformation with bound 5-benzylacyclouridine
分子名称: 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE, COBALT (II) ION, MAGNESIUM ION, ...
著者Roosild, T.P, Castronovo, S, Villoso, A.
登録日2010-09-28
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A novel structural mechanism for redox regulation of uridine phosphorylase 2 activity.
J.Struct.Biol., 176, 2011
6GBW
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BU of 6gbw by Molmil
Thrombin in complex with MI2100 ((S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-L-arginyl)pyrrolidine-2-carboxamide)
分子名称: (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2018-04-16
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
4JEI
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BU of 4jei by Molmil
Nonglycosylated Yarrowia lipolytica LIP2 lipase
分子名称: Lipase 2
著者Aloulou, A, Benarouche, A, Puccinelli, D, Spinelli, S, Cavalier, J.-F, Cambillau, C, Carriere, F.
登録日2013-02-27
公開日2013-03-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biochemical and structural characterization of non-glycosylated Yarrowia lipolytica LIP2 lipase
To be published
6FLW
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BU of 6flw by Molmil
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus.
分子名称: CITRIC ACID, Jacalin-like lectin
著者Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P.
登録日2018-01-29
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
6NJC
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BU of 6njc by Molmil
Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus
分子名称: ACETIC ACID, CHLORIDE ION, FORMIC ACID, ...
著者Kim, Y, Li, H, Biglow, L, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2019-01-03
公開日2019-01-16
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus
To Be Published
6HFK
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BU of 6hfk by Molmil
Human dihydroorotase mutant F1563L co-crystallized with carbamoyl aspartate at pH 6.5
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者Ramon-Maiques, S, Grande Garcia, A.
登録日2018-08-21
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.459144 Å)
主引用文献Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
6NJ1
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BU of 6nj1 by Molmil
Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
分子名称: Beta-lactamase, CHLORIDE ION
著者Michalska, K, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-02
公開日2019-01-16
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
To Be Published
6FZQ
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BU of 6fzq by Molmil
Crystal structure of scFv-SM3 in complex with compound 3
分子名称: 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ...
著者Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F.
登録日2018-03-15
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
3P0E
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BU of 3p0e by Molmil
Structure of hUPP2 in an active conformation with bound 5-benzylacyclouridine
分子名称: 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE, PHOSPHATE ION, Uridine phosphorylase 2
著者Roosild, T.P, Castronovo, S, Villoso, A.
登録日2010-09-28
公開日2011-09-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel structural mechanism for redox regulation of uridine phosphorylase 2 activity.
J.Struct.Biol., 176, 2011
6NK8
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BU of 6nk8 by Molmil
C-terminal region of the Burkholderia pseudomallei OLD protein
分子名称: Class 2 OLD family nuclease, MAGNESIUM ION
著者Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S.
登録日2019-01-05
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
3P4J
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BU of 3p4j by Molmil
Ultra-high resolution structure of d(CGCGCG)2 Z-DNA
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
著者Brzezinski, K, Brzuszkiewicz, A, Dauter, M, Kubicki, M, Jaskolski, M, Dauter, Z.
登録日2010-10-06
公開日2011-08-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.55 Å)
主引用文献High regularity of Z-DNA revealed by ultra high-resolution crystal structure at 0.55 A.
Nucleic Acids Res., 39, 2011
6NKQ
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BU of 6nkq by Molmil
The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8
分子名称: Beta-lactoglobulin, CALCIUM ION
著者McPherson, A.
登録日2019-01-07
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of bovine beta-lactoglobulin in crystals grown at pH 3.8 exhibiting novel threefold twinning.
Acta Crystallogr.,Sect.F, 75, 2019

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