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6QDD
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Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105
分子名称: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDC
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BU of 6qdc by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000101
分子名称: 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6YRZ
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BU of 6yrz by Molmil
Crystal structure of FAP et pH 8.5 after illumination at 150K
分子名称: CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, ...
著者Sorigue, D, Legrand, P, Blangy, S, Beisson, F, Arnoux, P.
登録日2020-04-20
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.824 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6YS1
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BU of 6ys1 by Molmil
Crystal structure of FAP R451K mutant in the dark at 100K
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID, ...
著者Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
登録日2020-04-20
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6C5W
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BU of 6c5w by Molmil
Crystal structure of the mitochondrial calcium uniporter
分子名称: CALCIUM ION, calcium uniporter, nanobody
著者Fan, C, Fan, M, Fastman, N, Zhang, J, Feng, L.
登録日2018-01-17
公開日2018-07-11
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (3.10010242 Å)
主引用文献X-ray and cryo-EM structures of the mitochondrial calcium uniporter.
Nature, 559, 2018
6YOP
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BU of 6yop by Molmil
Structure of SAMM50 LIR bound to GABARAP
分子名称: Sorting and assembly machinery component 50 homolog,Gamma-aminobutyric acid receptor-associated protein
著者Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T.
登録日2020-04-14
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of SAMM50 LIR bound to GABARAP
To Be Published
6C87
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BU of 6c87 by Molmil
Crystal structure of rab gdp dissociation inhibitor alpha from Naegleria fowleri
分子名称: Rab GDP dissociation inhibitor alpha, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-01-24
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of rab gdp dissociation inhibitor alpha from Naegleria fowleri
TO BE PUBLISHED
5KX9
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BU of 5kx9 by Molmil
Selective Small Molecule Inhibition of the FMN Riboswitch
分子名称: (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.
Rna Biol., 13, 2016
5L84
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BU of 5l84 by Molmil
Structure of the H959F variant of the PpsC dehydratase domain from Mycobacterium tuberculosis
分子名称: Phthiocerol synthesis polyketide synthase type I PpsC
著者Faille, A, Gavalda, S, Mourey, L, Pedelacq, J.D.
登録日2016-06-07
公開日2017-08-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases.
J. Mol. Biol., 429, 2017
6QGG
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BU of 6qgg by Molmil
Structure of human Bcl-2 in complex with analogue of ABT-737
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
5KYB
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BU of 5kyb by Molmil
Crystal structure of the apo-form of USP7 catalytic domain [V302K] mutant
分子名称: GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5LB6
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BU of 5lb6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R371H variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6Y1U
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BU of 6y1u by Molmil
Mycobacterium tuberculosis FtsZ-GDP in complex with 4-hydroxycoumarin
分子名称: 4-HYDROXY-2H-CHROMEN-2-ONE, Cell division protein FtsZ, DIMETHYL SULFOXIDE, ...
著者Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
登録日2020-02-13
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
6Y1V
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BU of 6y1v by Molmil
Mycobacterium tuberculosis FtsZ-GTP-gamma-S in complex with 4-hydroxycoumarin
分子名称: 4-HYDROXY-2H-CHROMEN-2-ONE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ, ...
著者Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
登録日2020-02-13
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
6Y1I
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BU of 6y1i by Molmil
Human Eg5 motor domain mutant R234C
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION
著者Garcia-Saez, I, Skoufias, D.A.
登録日2020-02-12
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human Eg5 motor domain mutant R234C
To Be Published
6G7H
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BU of 6g7h by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: resting state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
5KJ8
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BU of 5kj8 by Molmil
Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from synchrotron diffraction
分子名称: CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ...
著者Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T.
登録日2016-06-17
公開日2016-10-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex.
Elife, 5, 2016
5L20
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BU of 5l20 by Molmil
Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
分子名称: Clostripain-related protein, Peptide Inhibitor BTN-VLTK-AOMK
著者Wolan, D.W, Roncase, E.J.
登録日2016-07-29
公開日2017-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
To be published
6BUC
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BU of 6buc by Molmil
Structure of a new ShKT peptide from the sea anemone Oulactis sp.
分子名称: OspTx2b
著者Krishnarjuna, B, Norton, R.S.
登録日2017-12-10
公開日2018-05-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Synthesis, folding, structure and activity of a predicted peptide from the sea anemone Oulactis sp. with an ShKT fold.
Toxicon, 150, 2018
6PX4
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BU of 6px4 by Molmil
Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in H32
分子名称: Antiholin, Holin
著者Krieger, I.V, Sacchettini, J.C.
登録日2019-07-24
公開日2020-06-24
最終更新日2020-08-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
6FOW
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BU of 6fow by Molmil
The crystal structure of EncM complexed with dioxygen under 10 bar of oxygen pressure.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, OXYGEN MOLECULE, Putative FAD-dependent oxygenase EncM
著者Saleem-Batcha, R, Teufel, R.
登録日2018-02-08
公開日2018-05-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6YMC
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BU of 6ymc by Molmil
26-mer stem-loop RNA
分子名称: BARIUM ION, RNA (26-MER)
著者Janowski, R, Niessing, D.
登録日2020-04-08
公開日2022-04-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multiple intrinsically disordered RNA-binding motifs cooperate as RNA-folding catalyst and mediate phase transition
To Be Published
6YQ5
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BU of 6yq5 by Molmil
Hybrid structure of the SPP1 tail tube by solid-state NMR and cryo EM - NMR Ensemble
分子名称: Tail tube protein gp17.1*
著者Zinke, M, Sachowsky, K.A.A, Zinn-Justin, S, Ravelli, R, Schroder, G.F, Habeck, M, Lange, A.
登録日2020-04-16
公開日2020-10-14
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR
主引用文献Architecture of the flexible tail tube of bacteriophage SPP1.
Nat Commun, 11, 2020
6CB0
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BU of 6cb0 by Molmil
Crystal Structure of the FAK FERM domain
分子名称: Focal adhesion kinase 1
著者Dementiev, A, Marlowe, T.
登録日2018-02-01
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献High resolution crystal structure of the FAK FERM domain reveals new insights on the Druggability of tyrosine 397 and the Src SH3 binding site.
BMC Mol Cell Biol, 20, 2019
6FRA
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BU of 6fra by Molmil
F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101
分子名称: 1,2-ETHANEDIOL, Human T-Cell Receptor F11 alpha Chain, Human T-Cell Receptor F11 beta Chain, ...
著者Rizkallah, P.J, Cole, D.K.
登録日2018-02-15
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018

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件を2024-08-28に公開中

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