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1S61
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Crystal Structure of "Truncated" Hemoglobin N (HbN) from Mycobacterium tuberculosis, Soaked with Butyl-isocyanide
分子名称: CYANIDE ION, Hemoglobin-like protein HbN, N-BUTYL ISOCYANIDE, ...
著者Milani, M, Pesce, A, Ouellet, Y, Dewilde, S, Friedman, J, Ascenzi, P, Guertin, M, Bolognesi, M.
登録日2004-01-22
公開日2004-06-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Heme-ligand tunneling in group I truncated hemoglobins
J.Biol.Chem., 279, 2004
7N17
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BU of 7n17 by Molmil
Structure of TAX-4_R421W apo open state
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel
著者Zheng, X, Li, H, Hu, Z, Su, D, Yang, J.
登録日2021-05-27
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel.
Commun Biol, 5, 2022
7N0J
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BU of 7n0j by Molmil
Structure of YebY from E. coli K12
分子名称: YebY
著者Hadley, R.C, Rosenzweig, A.C.
登録日2021-05-25
公開日2022-03-09
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The copper-linked Escherichia coli AZY operon: Structure, metal binding, and a possible physiological role in copper delivery.
J.Biol.Chem., 298, 2022
7N15
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BU of 7n15 by Molmil
Structure of TAX-4_R421W w/cGMP open state
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ...
著者Zheng, X, Li, H, Hu, Z, Su, D, Yang, J.
登録日2021-05-27
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel.
Commun Biol, 5, 2022
7N16
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BU of 7n16 by Molmil
Structure of TAX-4_R421W apo closed state
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, SODIUM ION
著者Zheng, X, Li, H, Hu, Z, Su, D, Yang, J.
登録日2021-05-27
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel.
Commun Biol, 5, 2022
7ZSL
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BU of 7zsl by Molmil
human purine nucleoside phosphorylase in complex with JS-196
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSM
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BU of 7zsm by Molmil
human purine nucleoside phosphorylase in complex with JS-375
分子名称: CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSQ
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BU of 7zsq by Molmil
human purine nucleoside phosphorylase in complex with JS-555
分子名称: 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSR
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BU of 7zsr by Molmil
purine nucleoside phosphorylase in complex with JS-379
分子名称: ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7B36
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BU of 7b36 by Molmil
MST4 in complex with compound G-5555
分子名称: 1,2-ETHANEDIOL, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ...
著者Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-28
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.10681081 Å)
主引用文献Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
1SH2
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BU of 1sh2 by Molmil
Crystal Structure of Norwalk Virus Polymerase (Metal-free, Centered Orthorhombic)
分子名称: RNA Polymerase
著者Ng, K.K, Pendas-Franco, N, Rojo, J, Boga, J.A, Machin, A, Alonso, J.M, Parra, F.
登録日2004-02-24
公開日2004-03-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of norwalk virus polymerase reveals the carboxyl terminus in the active site cleft.
J.Biol.Chem., 279, 2004
7ZSN
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BU of 7zsn by Molmil
human purine nucleoside phosphorylase in complex with JS-379
分子名称: 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSP
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BU of 7zsp by Molmil
human purine nucleoside phosphorylase in complex with JS-555
分子名称: 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7N3R
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BU of 7n3r by Molmil
The ternary complex of human Bisphosphoglycerate mutase with 3-phosphoglycerate and 2-phosphoglycolate
分子名称: 2-PHOSPHOGLYCOLIC ACID, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase
著者Aljahdali, A.S, Musayev, F.N, Safo, M.K.
登録日2021-06-01
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
7N3S
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BU of 7n3s by Molmil
Human bisphosphoglycerate mutase complex with 2-phosphoglycolate
分子名称: 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase
著者Aljahdali, A.S, Musayev, F.N, Safo, M.K.
登録日2021-06-01
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
2C6C
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BU of 2c6c by Molmil
membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid
分子名称: (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
登録日2005-11-09
公開日2006-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
6X8R
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BU of 6x8r by Molmil
Pharmacological characterisation and NMR structure of the novel mu-conotoxin SxIIIC, a potent irreversible NaV channel inhibitor
分子名称: SxIIIC peptide
著者Schroeder, C.I, McMahon, K.L.
登録日2020-06-01
公開日2020-10-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Discovery, Pharmacological Characterisation and NMR Structure of the Novel μ-Conotoxin SxIIIC, a Potent and Irreversible Na V Channel Inhibitor.
Biomedicines, 8, 2020
5IY2
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BU of 5iy2 by Molmil
Structure of apo OXA-143 carbapenemase
分子名称: Beta-lactamase OXA-143, GLYCEROL
著者Smith, C.A, Vakulenko, S.B.
登録日2016-03-23
公開日2017-08-09
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D beta-lactamases.
Acta Crystallogr D Struct Biol, 73, 2017
6Y5F
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BU of 6y5f by Molmil
Crystal structure of the envelope glycoprotein prefusion complex of Andes virus - Mutant H953F
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, PHOSPHATE ION, ...
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-02-25
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
2BO9
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BU of 2bo9 by Molmil
Human carboxypeptidase A4 in complex with human latexin.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONE, ...
著者Pallares, I, Bonet, R, Garcia-Castellanos, R, Ventura, S, Aviles, F.X, Vendrell, J, Gomis-Rueth, F.X.
登録日2005-04-08
公開日2005-04-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Human Carboxypeptidase A4 with its Endogenous Protein Inhibitor, Latexin.
Proc.Natl.Acad.Sci.USA, 102, 2005
5J1A
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BU of 5j1a by Molmil
Antigen presenting molecule
分子名称: 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
著者Yongqing, T, Rossjohn, J, Le Nours, J, Marquez, E, Winau, F.
登録日2016-03-29
公開日2016-08-03
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献CD1a on Langerhans cells controls inflammatory skin disease.
Nat. Immunol., 17, 2016
2C6G
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BU of 2c6g by Molmil
Membrane-bound glutamate carboxypeptidase II (GCPII) with bound glutamate
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Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
登録日2005-11-09
公開日2006-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer.
EMBO J., 25, 2006
5J3S
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BU of 5j3s by Molmil
Crystal structure of the catalytic domain of human tyrosyl DNA phosphodiesterase 2 in complex with a small molecule inhibitor
分子名称: 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, Tyrosyl-DNA phosphodiesterase 2
著者Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W.
登録日2016-03-31
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
5J5A
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BU of 5j5a by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556)
分子名称: METHIONINE, Methionyl-tRNA synthetase, putative, ...
著者Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J.
登録日2016-04-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
1R5K
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BU of 1r5k by Molmil
Human Estrogen Receptor alpha Ligand-Binding Domain In Complex With GW5638
分子名称: (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, Estrogen receptor
著者Wu, Y.-L, Yang, X, Ren, Z, McDonnell, D.P, Norris, J.D, Willson, T.M, Greene, G.L.
登録日2003-10-10
公開日2004-11-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for an unexpected mode of SERM-mediated ER antagonism.
Mol.Cell, 18, 2005

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