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4EHN
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BU of 4ehn by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
6TLC
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BU of 6tlc by Molmil
Unphosphorylated human STAT3 in complex with MS3-6 monobody
分子名称: Monobody, Signal transducer and activator of transcription 3
著者La Sala, G, Lau, K, Reynaud, A, Pojer, F, Hantschel, O.
登録日2019-12-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains.
Nat Commun, 11, 2020
6TTX
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BU of 6ttx by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051)
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
4X4K
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BU of 4x4k by Molmil
Structure of laccase from Botrytis aclada with full copper content
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase, ...
著者Osipov, E.M, Polyakov, K.M, Tikhonova, T.V, Kittl, R, Shleev, S.V, Ludwig, R, Popov, V.O.
登録日2014-12-03
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Incorporation of copper ions into crystals of T2 copper-depleted laccase from Botrytis aclada.
Acta Crystallogr.,Sect.F, 71, 2015
5FDK
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BU of 5fdk by Molmil
Crystal structure of RecU(D88N) in complex with palindromic DNA duplex
分子名称: Holliday junction resolvase RecU, palindromic DNA
著者Khavnekar, S, Rafferty, J.B, Kale, A.
登録日2015-12-16
公開日2016-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.208 Å)
主引用文献Structural insights into dynamics of RecU-HJ complex formation elucidates key role of NTR and stalk region toward formation of reactive state.
Nucleic Acids Res., 45, 2017
5FFL
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BU of 5ffl by Molmil
Crystal structure of mouse CD300lf at 1.6 Angstroms resolution.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CD300 antigen-like family member F, ...
著者Nelson, C.A, Fremont, D.H.
登録日2015-12-18
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Discovery of a proteinaceous cellular receptor for a norovirus.
Science, 353, 2016
3OSS
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BU of 3oss by Molmil
The crystal structure of enterotoxigenic Escherichia coli GspC-GspD complex from the type II secretion system
分子名称: CALCIUM ION, CHLORIDE ION, TYPE 2 SECRETION SYSTEM, ...
著者Korotkov, K.V, Pruneda, J, Hol, W.G.J.
登録日2010-09-09
公開日2011-08-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structural and functional studies on the interaction of GspC and GspD in the type II secretion system.
Plos Pathog., 7, 2011
6TTP
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BU of 6ttp by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023)
分子名称: ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
7VKE
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BU of 7vke by Molmil
Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A
分子名称: 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, CHLORIDE ION, ...
著者Schooten, W.V, Schellenberger, U, Ugamraj, H.S, Manicka, S, Bijpuria, S, Gondu, R.K.
登録日2021-09-29
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity.
Mabs, 14, 2022
5NR7
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BU of 5nr7 by Molmil
Mtb TMK crystal structure in complex with compound 43
分子名称: 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-22
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
5FB0
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BU of 5fb0 by Molmil
Crystal Structure of a PHD finger bound to histone H3 T3ph peptide
分子名称: Nuclear autoantigen Sp-100, Peptide from Histone H3, ZINC ION
著者Li, H, Zhang, X.
登録日2015-12-13
公開日2016-05-04
最終更新日2016-06-22
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C
J.Biol.Chem., 291, 2016
6TU1
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BU of 6tu1 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091)
分子名称: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-31
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
6T0E
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BU of 6t0e by Molmil
The glucuronoyl esterase OtCE15A S267A variant from Opitutus terrae in complex with benzyl D-glucuronoate and D-glucuronate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Mazurkewich, S, Navarro Poulsen, J.C, Larsbrink, J, Lo Leggio, L.
登録日2019-10-03
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components.
J.Biol.Chem., 294, 2019
1GHT
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BU of 1ght by Molmil
SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF GAMMA DELTA RESOLVASE
分子名称: TRANSPOSON GAMMA-DELTA RESOLVASE
著者Pan, B, Mullen, G.P.
登録日2001-01-11
公開日2001-08-01
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the catalytic domain of gammadelta resolvase. Implications for the mechanism of catalysis.
J.Mol.Biol., 310, 2001
4EHF
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BU of 4ehf by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
6SKK
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BU of 6skk by Molmil
Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,8)
分子名称: capsid protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-15
公開日2020-08-26
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
2VEQ
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BU of 2veq by Molmil
Insights into kinetochore-DNA interactions from the structure of Cep3p
分子名称: BETA-MERCAPTOETHANOL, CACODYLATE ION, CENTROMERE DNA-BINDING PROTEIN COMPLEX CBF3 SUBUNIT B
著者Purvis, A, Singleton, M.R.
登録日2007-10-26
公開日2007-12-25
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Insights Into Kinetochore-DNA Interactions from the Structure of Cep3Delta
Embo Rep., 9, 2008
6SPM
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BU of 6spm by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid
分子名称: 4-(trifluoromethyl)benzoic acid, DIMETHYL SULFOXIDE, METHANOL, ...
著者Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
登録日2019-09-02
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6SPU
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BU of 6spu by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 3-aminobenzoic acid
分子名称: 3-AMINOBENZOIC ACID, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha
著者Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
登録日2019-09-02
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
2V1S
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BU of 2v1s by Molmil
CRYSTAL STRUCTURE OF RAT TOM20-ALDH PRESEQUENCE COMPLEX
分子名称: ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20 HOMOLOG
著者Obita, T, Igura, M, Ose, T, Endo, T, Maenaka, K, Kohda, D.
登録日2007-05-29
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Tom20 Recognizes Mitochondrial Presequences Through Dynamic Equilibrium Among Multiple Bound States.
Embo J., 26, 2007
4WGJ
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BU of 4wgj by Molmil
Crystal Structure of BepC protein (VirB-translocated Bartonella effector protein) with bound AMPPNP from Bartonella tribocorum
分子名称: 1,2-ETHANEDIOL, BepC protein, GLYCINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-09-18
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
4M55
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BU of 4m55 by Molmil
Crystal structure of Human UDP-xylose synthase R236H substitution
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYROPHOSPHATE 2-, SULFATE ION, ...
著者Walsh Jr, R.M, Polizzi, S.J, Wood, Z.A.
登録日2013-08-08
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Man o' war mutation in UDP-alpha-D-xylose synthase favors the abortive catalytic cycle and uncovers a latent potential for hexamer formation.
Biochemistry, 54, 2015
4WQT
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BU of 4wqt by Molmil
Thermus thermophilus RNA polymerase complexed with an RNA cleavage stimulating factor (a GreA/Gfh1 chimeric protein)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Murayama, Y, Sekine, S, Yokoyama, S.
登録日2014-10-22
公開日2015-02-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献The Ratcheted and Ratchetable Structural States of RNA Polymerase Underlie Multiple Transcriptional Functions.
Mol.Cell, 57, 2015
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
2VY6
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BU of 2vy6 by Molmil
Two domains from the C-terminal region of influenza A virus polymerase PB2 subunit
分子名称: POLYMERASE BASIC PROTEIN 2
著者Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D.
登録日2008-07-18
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit
Plos Pathog., 4, 2008

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