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5OD5
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BU of 5od5 by Molmil
Periplasmic binding protein CeuE complexed with a synthetic catalyst
分子名称: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide, Azotochelin, ...
著者Duhme-Klair, A.K, Raines, D.J, Clarke, J.E, Blagova, E.V, Dodson, E.J, Wilson, K.S.
登録日2017-07-04
公開日2018-08-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly
Nat Catal, 2018
5XQZ
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BU of 5xqz by Molmil
Structure of the MOB1-NDR2 complex
分子名称: GLYCEROL, MOB kinase activator 1A, Serine/threonine-protein kinase 38-like, ...
著者Wu, G, Lin, K.
登録日2017-06-07
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Stable MOB1 interaction with Hippo/MST is not essential for development and tissue growth control.
Nat Commun, 8, 2017
6RMT
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BU of 6rmt by Molmil
Crystal structure of disulphide-linked human C3d dimer
分子名称: CHLORIDE ION, Complement C3
著者Wahid, A.A, van den Elsen, J.M.H, Crennell, S.J.
登録日2019-05-07
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights Into the Structure-Function Relationships of Dimeric C3d Fragments.
Front Immunol, 12, 2021
1GK6
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BU of 1gk6 by Molmil
Human vimentin coil 2B fragment linked to GCN4 leucine zipper (Z2B)
分子名称: VIMENTIN
著者Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P.
登録日2001-08-08
公開日2002-03-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly.
Embo J., 21, 2002
1GK4
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BU of 1gk4 by Molmil
HUMAN VIMENTIN COIL 2B FRAGMENT (CYS2)
分子名称: ACETATE ION, VIMENTIN
著者Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P.
登録日2001-08-08
公開日2002-03-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly.
Embo J., 21, 2002
5F1R
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BU of 5f1r by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10)
分子名称: (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, Listeriolysin regulatory protein
著者Begum, A, Grundstrom, C, Good, J.A.D, Andersson, C, ALmqvist, F, Johansson, J, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2015-11-30
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Attenuating Listeria monocytogenes Virulence by Targeting the Regulatory Protein PrfA.
Cell Chem Biol, 23, 2016
5F72
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BU of 5f72 by Molmil
De novo design and crystallographic validation of antibodies targeting a pre-selected epitope
分子名称: Kelch-like ECH-associated protein 1, Single chain Fv from a Fab
著者Liu, X, Taylor, R.D, Griffin, L, Coker, S, Adams, R, Ceska, T, Shi, J, Lawson, A.D.G, Baker, T.
登録日2015-12-07
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献De novo design and crystallographic validation of antibodies targeting a pre-selected epitope
To Be Published
5N9S
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BU of 5n9s by Molmil
TTK kinase domain in complex with BAY 1161909
分子名称: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, Dual specificity protein kinase TTK
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5NA0
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BU of 5na0 by Molmil
TTK kinase domain in complex with a PEG-linked pyrimido-indolizine
分子名称: Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5N87
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BU of 5n87 by Molmil
TTK kinase domain in complex with NTRC 0066-0
分子名称: 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ...
著者Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-23
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5G5J
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BU of 5g5j by Molmil
Crystal structure of human CYP3A4 bound to metformin
分子名称: CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.
登録日2016-05-25
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
5NAD
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BU of 5nad by Molmil
TTK kinase domain in complex with BAY 1217389
分子名称: BAY 1217389, Dual specificity protein kinase TTK
著者Uitdehaag, J.C.M, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
2XD5
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BU of 2xd5 by Molmil
Structural insights into the catalytic mechanism and the role of Streptococcus pneumoniae PBP1b
分子名称: CHLORIDE ION, N-BENZOYL-D-ALANINE, PENICILLIN-BINDING PROTEIN 1B, ...
著者Macheboeuf, P, Lemaire, D, Jamin, M, Dideberg, O, Dessen, A.
登録日2010-04-29
公開日2010-05-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae Pbp1B
To be Published
5N93
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BU of 5n93 by Molmil
TTK kinase domain in complex with TC-Mps1-12
分子名称: 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide, Dual specificity protein kinase TTK
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-24
公開日2017-05-31
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5N84
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BU of 5n84 by Molmil
TTK kinase domain in complex with Mps-BAY2b
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ...
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-22
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
2XY8
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BU of 2xy8 by Molmil
Paramagnetic-based NMR structure of the complex between the N- terminal epsilon domain and the theta domain of the DNA polymerase III
分子名称: CALCIUM ION, DNA POLYMERASE III SUBUNIT EPSILON, DNA POLYMERASE III SUBUNIT THETA
著者Schmitz, C, Bonvin, A.M.J.J.
登録日2010-11-16
公開日2011-06-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein-Protein Haddocking Using Exclusively Pseudocontact Shifts.
J.Biomol.NMR, 50, 2011
5N7V
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BU of 5n7v by Molmil
TTK kinase domain in complex with MPI-0479605
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine
著者Uitdehaag, J, Willemsen-Seegers, N, Zaman, G.J.R.
登録日2017-02-21
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5FUO
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BU of 5fuo by Molmil
Extending the half-life of a Fab fragment through generation of a humanised anti-Human Serum Albumin (HSA) Fv domain: an investigation into the correlation between affinity and serum half-life
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SERUM ALBUMIN
著者Adams, R, Ceska, T.
登録日2016-01-28
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Extending the Half-Life of a Fab Fragment Through Generation of a Humanized Anti-Human Serum Albumin Fv Domain: An Investigation Into the Correlation between Affinity and Serum Half-Life.
Mabs, 8, 2016
5FUZ
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BU of 5fuz by Molmil
Extending the half-life of a Fab fragment through generation of a humanised anti-Human Serum Albumin (HSA) Fv domain: an investigation into the correlation between affinity and serum half-life
分子名称: 645 FAB, HEAVY CHAIN, LIGHT CHAIN
著者Adams, R, Ceska, T.
登録日2016-02-01
公開日2016-06-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Extending the Half-Life of a Fab Fragment Through Generation of a Humanized Anti-Human Serum Albumin Fv Domain: An Investigation Into the Correlation between Affinity and Serum Half-Life.
Mabs, 8, 2016
3OCT
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BU of 3oct by Molmil
Crystal structure of bruton's tyrosine kinase mutant V555R in complex with dasatinib
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK
著者Davies, D.R, Staker, B.L.
登録日2010-08-10
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
To be Published
3P08
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BU of 3p08 by Molmil
Crystal structure of the human BTK kinase domain
分子名称: Tyrosine-protein kinase BTK
著者Yu, C.L, Hymowitz, S.G.
登録日2010-09-27
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel, specific BTK inhibitor antagonizes BCR and FcgR signaling and suppresses inflammatory arthritis
To be Published
6TJY
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BU of 6tjy by Molmil
Crystal structure of haemagglutinin from (A/seal/Germany/1/2014) seal H10N7 influenza virus
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, CALCIUM ION, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2019-11-27
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6TVB
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BU of 6tvb by Molmil
Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
5UUI
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BU of 5uui by Molmil
Crystal Structure of Spin-Labeled T77C TNFa
分子名称: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Tumor necrosis factor
著者Horanyi, P.S, Dranow, D.M, Ceska, T.
登録日2017-02-16
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance.
Biophys. J., 113, 2017
6TY1
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BU of 6ty1 by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue 6'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-15
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020

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