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6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
分子名称: cystine knot (fluoropropylated)
著者Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
登録日2018-02-09
公開日2019-08-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
7LUK
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BU of 7luk by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC RORGT INVERSE AGONIST
分子名称: (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2021-02-22
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Azatricyclic Inverse Agonists of ROR gamma t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis.
Acs Med.Chem.Lett., 12, 2021
6Z7N
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BU of 6z7n by Molmil
The atomic structure of HAdV-F41 at pH 7.4
分子名称: Core-capsid bridging protein, Fiber protein, Hexon protein, ...
著者Carlson, L.-A, Rafie, K.
登録日2020-05-31
公開日2021-02-10
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献The structure of enteric human adenovirus 41-A leading cause of diarrhea in children.
Sci Adv, 7, 2021
7JH5
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BU of 7jh5 by Molmil
Co-LOCKR: de novo designed protein switch
分子名称: Co-LOCKR: de novo designed protein switch
著者Bick, M.J, Lajoie, M.J, Boyken, S.E, Sankaran, B, Baker, D.
登録日2020-07-20
公開日2020-09-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Designed protein logic to target cells with precise combinations of surface antigens.
Science, 369, 2020
6Z7Q
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BU of 6z7q by Molmil
The atomic structure of the HAdVF-41 penton base in solution
分子名称: Penton protein
著者Carlson, L.-A, Rafie, K.
登録日2020-06-01
公開日2020-11-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The structure of enteric human adenovirus 41-A leading cause of diarrhea in children.
Sci Adv, 7, 2021
5IF4
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BU of 5if4 by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
4XL8
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BU of 4xl8 by Molmil
Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with 2-O-Methyl-5-N-Acetylneuraminic Acid
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, ...
著者Stehle, T, Liaci, A.M.
登録日2015-01-13
公開日2015-01-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Human Adenovirus 52 Uses Sialic Acid-containing Glycoproteins and the Coxsackie and Adenovirus Receptor for Binding to Target Cells.
Plos Pathog., 11, 2015
1B2K
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BU of 1b2k by Molmil
Structural effects of monovalent anions on polymorphic lysozyme crystals
分子名称: IODIDE ION, PROTEIN (LYSOZYME)
著者Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A.
登録日1998-11-26
公開日1998-12-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural effects of monovalent anions on polymorphic lysozyme crystals.
Acta Crystallogr.,Sect.D, 57, 2001
2N0X
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BU of 2n0x by Molmil
Three dimensional structure of EPI-X4, a human albumin-derived peptide that regulates innate immunity through the CXCR4/CXCL12 chemotactic axis and antagonizes HIV-1 entry
分子名称: Serum albumin
著者Perez-Castells, J, Canales, A, Jimenez-Barbero, J, Gimenez-Gallego, G.
登録日2015-03-18
公開日2015-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Discovery and characterization of an endogenous CXCR4 antagonist.
Cell Rep, 11, 2015
5IEZ
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BU of 5iez by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
分子名称: 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
6NE5
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BU of 6ne5 by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer
分子名称: 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2018-12-17
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.
J.Med.Chem., 62, 2019
8GLB
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BU of 8glb by Molmil
Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate
分子名称: 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase
著者Pathirage, R, Ronning, D, Favrot, L.
登録日2023-03-21
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMI
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BU of 8gmi by Molmil
Citrate Synthase (CitA) in Mycobacterium tuberculosis modified by Ebselen at C143 residue
分子名称: CITRATE ANION, N-phenyl-2-selanylbenzamide, citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-25
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMK
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BU of 8gmk by Molmil
Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ...
著者Pathirage, R, Ronning, D, Yamsek, M.
登録日2023-03-26
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GI7
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BU of 8gi7 by Molmil
C143A variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase (unknown stereospecificity)
著者Pathirage, R, Ronning, D.
登録日2023-03-13
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GM9
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BU of 8gm9 by Molmil
Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis
分子名称: 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Pathirage, R, Ronning, D, Favrot, L.
登録日2023-03-24
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GIW
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BU of 8giw by Molmil
C143K variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Pathirage, R, Ronning, D.
登録日2023-03-14
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GLL
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BU of 8gll by Molmil
R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Pathirage, R, Ronning, D, Petit, C.
登録日2023-03-22
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMF
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BU of 8gmf by Molmil
R153M variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-25
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
6I2G
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BU of 6i2g by Molmil
ALFA-tag binding nanobody (NbALFA) bound to ALFA-tag peptide.
分子名称: ALFA nanobody, N7P-SER-ARG-LEU-GLU-GLU-GLU-LEU-ARG-ARG-ARG-LEU-THR-GLU-LPD, SULFATE ION
著者Martinez-Carranza, M, Stenmark, P.
登録日2018-11-01
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The ALFA-tag is a highly versatile tool for nanobody-based bioscience applications.
Nat Commun, 10, 2019
6WNO
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BU of 6wno by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 243244
分子名称: 243244 Fab heavy chain, 243244 Fab light chain, Plasmodium vivax reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-04-23
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6WTV
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BU of 6wtv by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 258259
分子名称: 258259 Fab heavy chain, 258259 Fab light chain, reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-05-04
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6WOZ
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BU of 6woz by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 251249
分子名称: 251249 Fab heavy chain, 251249 Fab light chain, reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-04-26
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6WTY
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BU of 6wty by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 253245
分子名称: 253245 Fab heavy chain, 253245 Fab light chain, reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-05-04
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.481 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6WM9
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BU of 6wm9 by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 237235
分子名称: 237235 Fab heavy chain, 237235 Fab light chain, Reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-04-20
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021

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