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PDB: 22202 件

3WEU
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BU of 3weu by Molmil
Crystal structure of the L-Lys epsilon-oxidase from Marinomonas mediterranea
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, L-lysine 6-oxidase, ...
著者Okazaki, S, Nakano, S, Matsui, D, Akaji, S, Inagaki, K, Asano, Y.
登録日2013-07-12
公開日2013-09-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献X-Ray crystallographic evidence for the presence of the cysteine tryptophylquinone cofactor in L-lysine {varepsilon}-oxidase from Marinomonas mediterranea
J.Biochem., 154, 2013
5MKG
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BU of 5mkg by Molmil
PA3825-EAL Ca-CdG Structure
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase
著者Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
登録日2016-12-04
公開日2016-12-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
5ML5
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BU of 5ml5 by Molmil
Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Buehrmann, M, Rauh, D.
登録日2016-12-06
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
8VEI
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BU of 8vei by Molmil
De novo designed colic acid binder CHD_r1
分子名称: CHD_r1
著者Bera, A.K, An, L, Baker, D.
登録日2023-12-19
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Binding and sensing diverse small molecules using shape complementary pseudocycles
To Be Published
5MUN
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BU of 5mun by Molmil
Structural insight into zymogenic latency of gingipain K from Porphyromonas gingivalis.
分子名称: AZIDE ION, Lys-gingipain W83
著者Pomowski, A, Uson, I, Nowakovska, Z, Veillard, F, Sztukowska, M.N, Guevara, T, Goulas, T, Mizgalska, D, Nowak, M, Potempa, B, Huntington, J.A, Potempa, J, Gomis-Ruth, F.X.
登録日2017-01-13
公開日2017-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights unravel the zymogenic mechanism of the virulence factor gingipain K from Porphyromonas gingivalis, a causative agent of gum disease from the human oral microbiome.
J. Biol. Chem., 292, 2017
8VEJ
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BU of 8vej by Molmil
De novo designed cholic acid binder: CHD_buttress
分子名称: CHD_buttress, CHOLIC ACID
著者Bera, A.K, Tran, L, Kang, A, Baker, D.
登録日2023-12-19
公開日2024-07-17
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Binding and sensing diverse small molecules using shape complementary pseudocycles
To Be Published
6BEI
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BU of 6bei by Molmil
Crystal structure of VACV D13 in its apo (unbound) form
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Scaffold protein D13
著者Garriga, D, Accurso, C, Coulibaly, F.
登録日2017-10-25
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5MN6
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BU of 5mn6 by Molmil
S. aureus FtsZ 12-316 F138A GDP Closed form (3FCm)
分子名称: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
著者Wagstaff, J.M, Tsim, M, Kureisaite-Ciziene, D, Lowe, J.
登録日2016-12-12
公開日2016-12-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments.
MBio, 8, 2017
6BEW
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BU of 6bew by Molmil
Solution structure of de novo macrocycle design7.2
分子名称: (DHI)P(DAS)(DGN)(DSN)(DGL)P
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
9FII
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BU of 9fii by Molmil
Crystal Structure of oxidized NuoEF variant E222K(NuoF) from Aquifex aeolicus
分子名称: CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
登録日2024-05-29
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9IJP
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BU of 9ijp by Molmil
Polyphosphate bound alpha-synuclein fibril
分子名称: Alpha-synuclein, Tetraphosphate
著者Tao, Y.Q, Liu, C, Li, D.
登録日2024-06-25
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Polyphosphate bound alpha-synuclein fibril
To Be Published
8UZL
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BU of 8uzl by Molmil
Designed Transmembrane beta-barrel- TMB10_163
分子名称: Designed Transmembrane beta-barrel TMB10_163, HEXANE-1,6-DIOL
著者Bera, A.K, Lemma, S.B, Kang, A, Baker, D.
登録日2023-11-15
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Sculpting conducting nanopore size and shape through de novo protein design
Science, 2024
6AX5
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BU of 6ax5 by Molmil
RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1.
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V.
登録日2017-09-06
公開日2017-10-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication.
Nat Commun, 12, 2021
3WBG
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BU of 3wbg by Molmil
Structure of the human heart fatty acid-binding protein in complex with 1-anilinonaphtalene-8-sulphonic acid
分子名称: 8-ANILINO-1-NAPHTHALENE SULFONATE, Fatty acid-binding protein, heart
著者Hirose, M, Sugiyama, S, Ishida, H, Niiyama, M, Matsuoka, D, Hara, T, Sato, F, Mizohata, E, Murakami, S, Inoue, T, Matsuoka, S, Murata, M.
登録日2013-05-16
公開日2013-10-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the human-heart fatty-acid-binding protein 3 in complex with the fluorescent probe 1-anilinonaphthalene-8-sulphonic acid
J.SYNCHROTRON RADIAT., 20, 2013
6BET
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BU of 6bet by Molmil
Solution structure of de novo macrocycle design12_ss
分子名称: H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6B3N
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BU of 6b3n by Molmil
Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
分子名称: NleG5-1
著者Valleau, D, Houliston, S, Lemak, A, Anderson, W.F, Arrowsmith, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-09-22
公開日2017-11-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
To Be Published
6B9K
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BU of 6b9k by Molmil
Solution NMR Structure of Unbound P18-I10
分子名称: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE
著者Flores-Solis, D, McShan, A, Sgourakis, N.
登録日2017-10-10
公開日2018-07-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Peptide exchange on MHC-I by TAPBPR is driven by a negative allostery release cycle.
Nat. Chem. Biol., 14, 2018
6BF5
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BU of 6bf5 by Molmil
Solution structure of de novo macrocycle design7.3a
分子名称: QDP(DPR)K(DTH)(DAS)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2018-01-10
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BER
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BU of 6ber by Molmil
Solution structure of de novo macrocycle design10.2
分子名称: E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEO
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BU of 6beo by Molmil
Solution structure of de novo macrocycle design9.1
分子名称: (DPR)PY(DHI)PKDL(DGN)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
3WFP
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BU of 3wfp by Molmil
tRNA processing enzyme (apo form 2)
分子名称: Poly A polymerase, SULFATE ION
著者Yamashita, S, Takeshita, D, Tomita, K.
登録日2013-07-23
公開日2014-01-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.005 Å)
主引用文献Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Structure, 22, 2014
8S6E
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BU of 8s6e by Molmil
Monoclonal antibody MenW targeting serogroup W of Neisseria meningitidis
分子名称: MenW.01 Heavy chain, MenW.01 Light chain, SODIUM ION
著者Pietri, G.P, Bertuzzi, S, Karnicar, K, Unione, L, Lisnic, B, Malic, S, Miklic, K, Novak, M, Calloni, I, Santini, L, Usenik, A, Rosaria Romano, M, Adamo, R, Jonjic, S, Turk, D, Jimenez-Barbero, J, Lenac Rovis, T.
登録日2024-02-27
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antigenic determinants driving serogroup-specific antibody response to Neisseria meningitidis C, W, and Y capsular polysaccharides: Insights for rational vaccine design.
Carbohydr Polym, 341, 2024
6BEQ
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BU of 6beq by Molmil
Solution structure of de novo macrocycle design10.1
分子名称: AAR(DVA)(DPR)R(DLE)(DTH)PE
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2018-01-10
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
5MBB
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BU of 5mbb by Molmil
Structure of a bacterial light-regulated adenylyl cylcase
分子名称: Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-11-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
6BEU
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BU of 6beu by Molmil
Solution structure of de novo macrocycle design14_ss
分子名称: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017

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