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5VC5
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BU of 5vc5 by Molmil
Crystal structure of human WEE1 kinase domain in complex with PD-166285
分子名称: 1,2-ETHANEDIOL, 6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-03-31
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
5VMC
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BU of 5vmc by Molmil
Influenza hemagglutinin H1 mutant DH1 in complex with 6'SLN
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, Hemagglutinin HA1, ...
著者Ni, F, Kondrashkina, E, Wang, Q.
登録日2017-04-27
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Determinant of receptor-preference switch in influenza hemagglutinin.
Virology, 513, 2017
1UM4
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BU of 1um4 by Molmil
Catalytic Antibody 21H3 with hapten
分子名称: (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE, Antibody 21H3 H chain, Antibody 21H3 L chain
著者Beuscher IV, A.E, Reuter, J, Olson, A.J, Romesberg, F.E, Schultz, P.G, Wirsching, P, Janda, K.D, Lerner, R.A, Stevens, R.C.
登録日2003-09-23
公開日2004-10-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms
To be Published
4MEX
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BU of 4mex by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with salinamide A
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H.
登録日2013-08-27
公開日2014-05-21
最終更新日2014-06-25
実験手法X-RAY DIFFRACTION (3.902 Å)
主引用文献Transcription inhibition by the depsipeptide antibiotic salinamide A.
Elife, 3, 2014
7M1V
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BU of 7m1v by Molmil
Structure of Zika virus NS2b-NS3 protease mutant binding the compound NSC86314 in the super-open conformation
分子名称: 1,2-ETHANEDIOL, 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide, CHLORIDE ION, ...
著者Aleshin, A.E, Shiryaev, S.A, Liddington, R.C.
登録日2021-03-15
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献To be provided
To Be Published
2G0A
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BU of 2g0a by Molmil
X-ray structure of mouse pyrimidine 5'-nucleotidase type 1 with lead(II) bound in active site
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytosolic 5'-nucleotidase III, LEAD (II) ION
著者Bitto, E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-02-11
公開日2006-04-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of pyrimidine 5'-nucleotidase type 1. Insight into mechanism of action and inhibition during lead poisoning.
J.Biol.Chem., 281, 2006
5MR8
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BU of 5mr8 by Molmil
Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
分子名称: E3 ubiquitin-protein ligase TRIM33, Histone H3, ZINC ION
著者Tallant, C, Savitsky, P, Fedorov, O, Nunez-Alonso, G, Siejka, P, Krojer, T, Williams, E, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-12-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
To Be Published
5MXK
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BU of 5mxk by Molmil
Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9.
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide
著者Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L.
登録日2017-01-23
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.
Angew. Chem. Int. Ed. Engl., 56, 2017
6CUJ
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BU of 6cuj by Molmil
Crystal structure of the C-terminal domain of neisserial heparin binding antigen (NHBA)
分子名称: Gna2132
著者Malito, E, Spraggon, G.
登録日2018-03-26
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structures of NHBA elucidate a broadly conserved epitope identified by a vaccine induced antibody.
PLoS ONE, 13, 2018
2BBA
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BU of 2bba by Molmil
Crystal Structure and Thermodynamic Characterization of the EphB4 Receptor in Complex with an ephrin-B2 Antagonist Peptide Reveals the Determinants for Receptor Specificity.
分子名称: Agonist peptide, Ephrin type-B receptor 4, SULFATE ION
著者Chrencik, J.E, Kuhn, P, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2005-10-17
公開日2006-07-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and thermodynamic characterization of the EphB4/Ephrin-B2 antagonist peptide complex reveals the determinants for receptor specificity.
Structure, 14, 2006
1UXQ
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BU of 1uxq by Molmil
Structural basis for allosteric regulation and substrate specificity of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase (GAPN) from Thermoproteus tenax
分子名称: 1-O-phosphono-alpha-D-glucopyranose, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (NADP+), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Lorentzen, E, Hensel, R, Pohl, E.
登録日2004-03-01
公開日2004-08-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Allosteric Regulation and Substrate Specificity of the Non-Phosphorylating Glyceraldehyde 3-Phosphate Dehydrogenase from Thermoproteus Tenax
J.Mol.Biol., 341, 2004
5MTT
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BU of 5mtt by Molmil
Maltodextrin binding protein MalE1 from L. casei BL23 bound to maltotetraose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MalE1, ...
著者Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E.
登録日2017-01-10
公開日2017-07-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
5MU4
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BU of 5mu4 by Molmil
Tail Tubular Protein A of Klebsiella pneumoniae bacteriophage KP32
分子名称: Tail tubular protein A
著者Pyra, A, Brzozowska, E, Pawlik, K, Dauter, M, Dauter, Z, Gamian, A.
登録日2017-01-12
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tail tubular protein A: a dual-function tail protein of Klebsiella pneumoniae bacteriophage KP32.
Sci Rep, 7, 2017
2FZS
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BU of 2fzs by Molmil
Crystal structure of E. coli ClpP with a Peptide Chloromethyl Ketone Covalently Bound at the Active Site
分子名称: ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE, ...
著者Szyk, A, Maurizi, M.R.
登録日2006-02-10
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure at 1.9A of E. coli ClpP with a peptide covalently bound at the active site.
J.Struct.Biol., 156, 2006
4N7I
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BU of 4n7i by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1
分子名称: BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, CHLORIDE ION, ...
著者Sandstrom, A, Adams, E.J.
登録日2013-10-15
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4015 Å)
主引用文献The Intracellular B30.2 Domain of Butyrophilin 3A1 Binds Phosphoantigens to Mediate Activation of Human V gamma 9V delta 2 T Cells.
Immunity, 40, 2014
6CMN
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BU of 6cmn by Molmil
Co-Crystal Structure of HIV-1 TAR Bound to Lab-Evolved RRM TBP6.7
分子名称: TAR-Binding Protein 6.7, Trans-Activation Response RNA Element
著者Belashov, I.A, Wedekind, J.E.
登録日2018-03-05
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structure of HIV TAR in complex with a Lab-Evolved RRM provides insight into duplex RNA recognition and synthesis of a constrained peptide that impairs transcription.
Nucleic Acids Res., 46, 2018
1ZNX
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BU of 1znx by Molmil
Crystal Structure Of Mycobacterium tuberculosis Guanylate Kinase In Complex With GMP
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase
著者Hible, G, Christova, P, Renault, L, Seclaman, E, Thompson, A, Girard, E, Munier-Lehmann, H, Cherfils, J.
登録日2005-05-12
公開日2005-11-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Unique GMP-binding site in Mycobacterium tuberculosis guanosine monophosphate kinase
Proteins, 62, 2006
1OSD
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BU of 1osd by Molmil
crystal structure of Oxidized MerP from Ralstonia metallidurans CH34
分子名称: hypothetical protein MerP
著者Serre, L, Rossy, E, Pebay-Peyroula, E, Cohen-Addad, C, Coves, J.
登録日2003-03-19
公開日2004-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Oxidized Form of the Periplasmic Mercury-binding Protein MerP from Ralstonia metallidurans CH34
J.MOL.BIOL., 339, 2004
5V5Y
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BU of 5v5y by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH MK1775
分子名称: 1,2-ETHANEDIOL, 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, DIMETHYL SULFOXIDE, ...
著者ZHU, J.-Y, SCHONBRUNN, E.
登録日2017-03-15
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
5LA3
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BU of 5la3 by Molmil
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E279A
分子名称: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
著者Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
登録日2016-06-13
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Accumulating the hydride state in the catalytic cycle of [FeFe]-hydrogenases.
Nat Commun, 8, 2017
1OTT
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BU of 1ott by Molmil
Structure of the Escherichia coli ClC Chloride channel E148A mutant and Fab Complex
分子名称: CHLORIDE ION, Fab fragment (Heavy chain), Fab fragment (Light chain), ...
著者Dutzler, R, Campbell, E.B, MacKinnon, R.
登録日2003-03-23
公開日2003-04-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Gating the Selectivity Filter in ClC Chloride Channels
Science, 300, 2003
1Z7Y
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BU of 1z7y by Molmil
Crystal Structure of the Arabidopsis thaliana O-Acetylserine Sulfhydrylase K46A mutant
分子名称: Cysteine synthase, N-[(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXYPHOSPHORANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLENE]METHIONINE
著者Bonner, E.R, Cahoon, R.E, Knapke, S.M, Jez, J.M.
登録日2005-03-28
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Basis of Cysteine Biosynthesis in Plants: STRUCTURAL AND FUNCTIONAL ANALYSIS OF O-ACETYLSERINE SULFHYDRYLASE FROM ARABIDOPSIS THALIANA.
J.Biol.Chem., 280, 2005
1Z96
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Crystal structure of the Mud1 UBA domain
分子名称: UBA-domain protein mud1
著者Trempe, J.-F, Brown, N.R, Lowe, E.D, Noble, M.E.M, Gordon, C, Campbell, I.D, Johnson, L.N, Endicott, J.A.
登録日2005-03-31
公開日2005-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of Lys48-linked polyubiquitin chain recognition by the Mud1 UBA domain
Embo J., 24, 2005
7UMS
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BU of 7ums by Molmil
Structure of the VP5*/VP8* assembly from the human rotavirus strain CDC-9 in complex with antibody 41 - Upright conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fab 41 heavy chain, ...
著者Jenni, S, Zongli, L, Wang, Y, Bessey, T, Salgado, E.N, Schmidt, A.G, Greenberg, H.B, Jiang, B, Harrison, S.C.
登録日2022-04-07
公開日2022-07-27
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Rotavirus VP4 Epitope of a Broadly Neutralizing Human Antibody Defined by Its Structure Bound with an Attenuated-Strain Virion.
J.Virol., 96, 2022
7UMT
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Structure of the VP5*/VP8* assembly from the human rotavirus strain CDC-9 - Reversed conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Intermediate capsid protein VP6, ...
著者Jenni, S, Zongli, L, Wang, Y, Bessey, T, Salgado, E.N, Schmidt, A.G, Greenberg, H.B, Jiang, B, Harrison, S.C.
登録日2022-04-07
公開日2022-07-27
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Rotavirus VP4 Epitope of a Broadly Neutralizing Human Antibody Defined by Its Structure Bound with an Attenuated-Strain Virion.
J.Virol., 96, 2022

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