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6FNI
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BU of 6fni by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with NVP-BHG712
分子名称: 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.468 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
1OKY
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BU of 1oky by Molmil
Structure of human PDK1 kinase domain in complex with staurosporine
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, STAUROSPORINE, ...
著者Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-08-01
公開日2004-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition
Biochem.J., 375, 2003
5KDH
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BU of 5kdh by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIHYDROPYRIDOPYRIMIDINE SCAFFOLD INHIBITOR
分子名称: (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2016-06-08
公開日2017-08-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen.
J. Med. Chem., 60, 2017
6TCK
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BU of 6tck by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
著者Welin, M, Kimbung, R, Focht, D.
登録日2019-11-06
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational design of balanced dual-targeting antibiotics with limited resistance.
Plos Biol., 18, 2020
6FLY
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BU of 6fly by Molmil
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with mannose.
分子名称: Jacalin-like lectin, alpha-D-mannopyranose
著者Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P.
登録日2018-01-29
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
6FNH
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BU of 6fnh by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712
分子名称: 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6TSQ
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BU of 6tsq by Molmil
Marasmius oreades agglutinin (MOA) activated by manganese (II)
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-21
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
4NDK
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BU of 4ndk by Molmil
Crystal structure of a computational designed engrailed homeodomain variant fused with YFP
分子名称: E23P-YFP, GFP-like fluorescent chromoprotein FP506, related, ...
著者Mou, Y, Mayo, S.L.
登録日2013-10-26
公開日2014-11-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
6FNG
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BU of 6fng by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.038 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6FNM
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BU of 6fnm by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with Dasatinib
分子名称: Ephrin type-B receptor 4, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.157 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6TLF
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BU of 6tlf by Molmil
human 14-3-3 sigma isoform in complex with IMP
分子名称: 14-3-3 protein sigma, INOSINIC ACID, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-02
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
6TM0
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BU of 6tm0 by Molmil
N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL
分子名称: Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J.
登録日2019-12-03
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
6FLZ
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BU of 6flz by Molmil
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with methyl-mannose.
分子名称: CITRIC ACID, Jacalin-like lectin, methyl alpha-D-mannopyranoside
著者Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P.
登録日2018-01-29
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
6FRJ
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BU of 6frj by Molmil
Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ...
著者Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
登録日2018-02-16
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J. Am. Chem. Soc., 141, 2019
1PZJ
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BU of 1pzj by Molmil
Cholera Toxin B-Pentamer Complexed With Nitrophenyl Galactoside 5
分子名称: Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-ALPHA-BENZAMIDE, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-BETA-BENZAMIDE
著者Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
登録日2003-07-11
公開日2004-03-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
6TSL
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BU of 6tsl by Molmil
Marasmius oreades agglutinin (MOA) in complex with the truncated PVPRAHS synthetic substrate
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
6FLW
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BU of 6flw by Molmil
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus.
分子名称: CITRIC ACID, Jacalin-like lectin
著者Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P.
登録日2018-01-29
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
1PW8
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BU of 1pw8 by Molmil
Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin
分子名称: (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
6TM7
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BU of 6tm7 by Molmil
Human 14-3-3 sigma isoform in complex with PLP
分子名称: 14-3-3 protein sigma, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-03
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
6TSR
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BU of 6tsr by Molmil
Marasmius oreades agglutinin (MOA) activated by manganese (II) and calcium
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-21
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
6TSM
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BU of 6tsm by Molmil
Marasmius oreades agglutinin (MOA) in complex with the truncated PVVRAHS synthetic substrate
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
6TSO
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BU of 6tso by Molmil
Marasmius oreades agglutinin (MOA) inhibited by cadmium
分子名称: 1,2-ETHANEDIOL, Agglutinin, CADMIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
5K8P
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BU of 5k8p by Molmil
Zn2+/Tetrahedral intermediate-bound R289A 5-nitroanthranilate aminohydrolase
分子名称: (6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid, 5-nitroanthranilic acid aminohydrolase, GLYCEROL, ...
著者Kalyoncu, S.
登録日2016-05-30
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzymatic hydrolysis by transition-metal-dependent nucleophilic aromatic substitution.
Nat.Chem.Biol., 12, 2016
5K7J
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BU of 5k7j by Molmil
Structure of designed zinc binding protein ZE2 bound to Zn2+
分子名称: Indole-3-glycerol phosphate synthase, ZINC ION
著者Guffy, S.L, Der, B.S, Kuhlman, B.
登録日2016-05-26
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Probing the minimal determinants of zinc binding with computational protein design.
Protein Eng.Des.Sel., 29, 2016
6SO3
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BU of 6so3 by Molmil
The interacting head motif in insect flight muscle myosin thick filaments
分子名称: Myosin 2 essential light chain striated muscle, Myosin 2 heavy chain striated muscle, Myosin 2 regulatory light chain striated muscle
著者Morris, E.P, Knupp, C, Squire, J.M.
登録日2019-08-28
公開日2020-07-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献The Interacting Head Motif Structure Does Not Explain the X-Ray Diffraction Patterns in Relaxed Vertebrate (Bony Fish) Skeletal Muscle and Insect (Lethocerus) Flight Muscle.
Biology (Basel), 8, 2019

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