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6NFC
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BG505 MD64 N332-GT5 SOSIP trimer in complex with BG18-like precursor HMP42 fragmentantigen binding and base-binding RM20A3 fragment antigen binding
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG18-like precursor HMP42 fragment antigen binding heavy chain, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2018-12-19
公開日2019-11-06
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
6NBP
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BU of 6nbp by Molmil
Crystal Structure of a Sugar N-Formyltransferase from the Plant Pathogen Pantoea ananatis
分子名称: N-formyltransferase, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, PHOSPHATE ION, ...
著者Hofmeister, D.L, Thoden, J.B, Holden, H.M.
登録日2018-12-09
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Investigation of a sugar N-formyltransferase from the plant pathogen Pantoea ananatis.
Protein Sci., 28, 2019
6QBF
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BU of 6qbf by Molmil
Crystal structure of the pathological D187N variant of calcium-free human gelsolin.
分子名称: GLYCEROL, Gelsolin, SODIUM ION, ...
著者Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M.
登録日2018-12-21
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.499 Å)
主引用文献The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
4Y5L
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BU of 4y5l by Molmil
Endothiapepsin in its apo form
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
3R2K
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BU of 3r2k by Molmil
1.55A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 7.5)
分子名称: Bacterioferritin, SODIUM ION
著者Lovell, S.W, Battaile, K.P, Yao, H, Jepkorir, G, Nama, P.V, Weeratunga, S, Rivera, M.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two distinct ferritin-like molecules in Pseudomonas aeruginosa: the product of the bfrA gene is a bacterial ferritin (FtnA) and not a bacterioferritin (Bfr).
Biochemistry, 50, 2011
6PVD
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BU of 6pvd by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-NV18.1
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
著者Awad, W, Rossjohn, J.
登録日2019-07-20
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Q0M
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BU of 6q0m by Molmil
Structure of Erbin PDZ derivative E-14 with a high-affinity peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S.
登録日2019-08-02
公開日2019-11-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
6NC9
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BU of 6nc9 by Molmil
Lipid II flippase MurJ, outward-facing conformation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, ...
著者Kuk, A.C.Y, Lee, S.-Y.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
6NOK
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BU of 6nok by Molmil
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
分子名称: Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION
著者Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
登録日2019-01-16
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
To Be Published
6PUN
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BU of 6pun by Molmil
Crystal structure of a ternary complex of FBF-2 with LST-1 (site B) and compact FBE RNA
分子名称: 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, GLYCEROL, ...
著者Qiu, C, Campbell, Z.T, Hall, T.M.T.
登録日2019-07-18
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献A crystal structure of a collaborative RNA regulatory complex reveals mechanisms to refine target specificity.
Elife, 8, 2019
6N6A
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BU of 6n6a by Molmil
Vibrio cholerae Oligoribonuclease bound to pGG
分子名称: Oligoribonuclease, RNA (5'-R(P*GP*G)-3'), SODIUM ION
著者Lormand, J.D, Sondermann, H.
登録日2018-11-26
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation.
Elife, 8, 2019
6N6G
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BU of 6n6g by Molmil
Vibrio cholerae Oligoribonuclease bound to pCG
分子名称: Oligoribonuclease, RNA (5'-R(P*CP*G)-3'), SODIUM ION
著者Lormand, J.D, Sondermann, H.
登録日2018-11-26
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.018 Å)
主引用文献A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation.
Elife, 8, 2019
4YPO
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BU of 4ypo by Molmil
Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase in complex with Mg2+
分子名称: CHLORIDE ION, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Lv, Y, Guddat, L.W.
登録日2015-03-13
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.001 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase at 1.0 angstrom resolution - a potential target for anti-tuberculosis drug discovery.
Febs J., 283, 2016
6PZT
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BU of 6pzt by Molmil
cryo-EM structure of human NKCC1
分子名称: Solute carrier family 12 member 2
著者Cao, E, Wang, Q, Yang, X.
登録日2019-08-01
公開日2020-03-25
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structure of the human cation-chloride cotransporter NKCC1 determined by single-particle electron cryo-microscopy.
Nat Commun, 11, 2020
4YT9
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BU of 4yt9 by Molmil
Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) substrate-unbound.
分子名称: GLYCEROL, Peptidylarginine deiminase, SODIUM ION
著者Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X.
登録日2015-03-17
公開日2015-07-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase.
Sci Rep, 5, 2015
4YD1
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BU of 4yd1 by Molmil
Ternary complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate and an incoming nonhydrolyzable dUMPNPP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, ...
著者Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
登録日2015-02-20
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Creative template-dependent synthesis by human polymerase mu.
Proc.Natl.Acad.Sci.USA, 112, 2015
6NAF
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BU of 6naf by Molmil
De novo designed homo-trimeric amantadine-binding protein
分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein
著者Selvaraj, B, Park, J, Cuneo, M.J, Myles, D.A.A, Baker, D.
登録日2018-12-05
公開日2019-12-18
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (1.923 Å), X-RAY DIFFRACTION
主引用文献De novo design of a homo-trimeric amantadine-binding protein.
Elife, 8, 2019
6NKT
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BU of 6nkt by Molmil
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with beta-gamma difluoro analogue of dGTP
分子名称: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2019-01-07
公開日2020-01-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
4YOP
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BU of 4yop by Molmil
CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Sugahara, M, Nakane, T, Suzuki, M, Nango, E.
登録日2015-03-12
公開日2015-12-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Native sulfur/chlorine SAD phasing for serial femtosecond crystallography
Acta Crystallogr.,Sect.D, 71, 2015
6Q11
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BU of 6q11 by Molmil
Crystal structure of MurA from Clostridium difficile, mutation C116S, in the presence of URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
分子名称: 1,2-ETHANEDIOL, SODIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M.
登録日2019-08-02
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of MurA from Clostridium difficile, mutation C116S, in the presence of URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
To Be Published
4YWD
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BU of 4ywd by Molmil
Structure of rat cytosolic pepck in complex with 2,3-Pyridine dicarboxylic acid
分子名称: MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ...
著者Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T.
登録日2015-03-20
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid.
Biochemistry, 54, 2015
4YHQ
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BU of 4yhq by Molmil
Crystal structure of multidrug resistant clinical isolate PR20 with GRL-5010A
分子名称: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Agniswamy, J, Weber, I.T.
登録日2015-02-27
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20.
J.Med.Chem., 58, 2015
6QF2
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BU of 6qf2 by Molmil
X-Ray structure of Thermolysin crystallized on a silicon chip
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, ...
著者Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
登録日2019-01-09
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.733 Å)
主引用文献On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
6MXS
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BU of 6mxs by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Shi, R, Picard, M.-E, Manenda, M.S.
登録日2018-10-31
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
4YUC
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BU of 4yuc by Molmil
Crystal Structure of CorB derivatized with S-(2-acetamidoethyl) 4-methyl-3-oxohexanethioate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CorB, SODIUM ION
著者Zocher, G, Vilstrup, J, Stehle, T.
登録日2015-03-18
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural basis of head to head polyketide fusion by CorB.
Chem Sci, 6, 2015

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