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7PEP
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BU of 7pep by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEI
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BU of 7pei by Molmil
Crystal Structure of a Class D carbapenemase_E185A/R186A/R206A
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PSE
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BU of 7pse by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-09-23
公開日2022-10-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7BES
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BU of 7bes by Molmil
CryoEM structure of Mycobacterium tuberculosis UMP Kinase (UMPK) in complex with UDP and UTP
分子名称: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
著者Bous, J, Trapani, S, Walter, P, Bron, P, Munier-Lehmann, H.
登録日2020-12-24
公開日2022-01-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
7BIX
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BU of 7bix by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (C2 form)
分子名称: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
著者Labesse, G, Walter, P, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
登録日2021-01-13
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
7BL7
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BU of 7bl7 by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form)
分子名称: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
著者Walter, P, Labesse, G, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
登録日2021-01-18
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
7Q6H
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BU of 7q6h by Molmil
HUMAN JAK3 KINASE DOMAIN WITH 1-(4-((2-((1-methyl-1H-pyrazol-4-yl)amino)quinazolin-8-yl)amino)piperidin-1-yl)ethan-1-one
分子名称: 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone, 1-phenylurea, SULFATE ION, ...
著者Chung, C.
登録日2021-11-07
公開日2022-02-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
8DDI
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BU of 8ddi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166N Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
登録日2022-06-18
公開日2022-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8DDM
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BU of 8ddm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166R Mutant in Complex with Inhibitor GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Chen, Y.
登録日2022-06-18
公開日2022-08-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8P89
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BU of 8p89 by Molmil
X-ray structure of cardiotoxic light chain H3 in complex to neutralizing nanobody B5
分子名称: CHLORIDE ION, Light chain H3, Nanobody B5
著者Broggini, L, Ricagno, S.
登録日2023-05-31
公開日2024-01-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.187 Å)
主引用文献Nanobodies counteract the toxicity of an amyloidogenic light chain by stabilizing a partially open dimeric conformation.
J.Mol.Biol., 435, 2023
8P88
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BU of 8p88 by Molmil
X-ray structure of cardiotoxic light chain H3 in complex to neutralizing nanobody C4
分子名称: CHLORIDE ION, Light Chain H3, Nanobody C4, ...
著者Broggini, L, Ricagno, S.
登録日2023-05-31
公開日2024-01-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.022 Å)
主引用文献Nanobodies counteract the toxicity of an amyloidogenic light chain by stabilizing a partially open dimeric conformation.
J.Mol.Biol., 435, 2023
8P6F
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BU of 8p6f by Molmil
Crystal structure of PorX-Fj
分子名称: ACETATE ION, MAGNESIUM ION, Response regulator receiver domain-containing protein, ...
著者Leone, P.
登録日2023-05-26
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-function analysis of PorX Fj , the PorX homolog from Flavobacterium johnsioniae, suggests a role of the CheY-like domain in type IX secretion motor activity.
Sci Rep, 14, 2024
8QNZ
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BU of 8qnz by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2023-09-27
公開日2023-11-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
7Q14
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BU of 7q14 by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-10-18
公開日2022-11-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
5ZII
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BU of 5zii by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (Y88F)Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Zhang, X, Wan, Q.
登録日2018-03-15
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5LBS
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BU of 5lbs by Molmil
structural basis of Zika and Dengue virus potent antibody cross-neutralization
分子名称: 1,2-ETHANEDIOL, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8, SULFATE ION, ...
著者Vaney, M.C, Rouvinski, A, Barba-Spaeth, G, Rey, F.A.
登録日2016-06-17
公開日2016-07-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
2DPG
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BU of 2dpg by Molmil
COMPLEX OF INACTIVE MUTANT (H240->N) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES WITH NADP+
分子名称: GLUCOSE 6-PHOSPHATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Adams, M.J, Naylor, C.E, Paludin, S, Gover, S.
登録日1998-04-17
公開日1998-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献On the mechanism of the reaction catalyzed by glucose 6-phosphate dehydrogenase.
Biochemistry, 37, 1998
7PDQ
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BU of 7pdq by Molmil
Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment
分子名称: 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者le Maire, A, Bourguet, W, Guee, L.
登録日2021-08-06
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
7PDT
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BU of 7pdt by Molmil
Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment
分子名称: 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者le Maire, A, Bourguet, W, Guee, L.
登録日2021-08-07
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
6HUD
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BU of 6hud by Molmil
Cryo-EM structure of cardiac amyloid fibrils from an immunoglobulin light chain (AL) amyloidosis patient.
分子名称: Monoclonal immunoglobulin light chains (LC)
著者Paissoni, C, Camilloni, C.
登録日2018-10-06
公開日2019-03-27
最終更新日2019-04-03
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structure of cardiac amyloid fibrils from an immunoglobulin light chain AL amyloidosis patient.
Nat Commun, 10, 2019
2OFU
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BU of 2ofu by Molmil
x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck
分子名称: 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Huang, X.
登録日2007-01-04
公開日2007-02-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity
J.Med.Chem., 49, 2006
5ZO0
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BU of 5zo0 by Molmil
Neutron structure of xylanase at pD5.4
分子名称: Endo-1,4-beta-xylanase 2
著者Wan, Q, Li, Z.H.
登録日2018-04-12
公開日2019-05-15
最終更新日2023-11-22
実験手法NEUTRON DIFFRACTION (1.648 Å)
主引用文献Neutron structure of xylanase at pD5.4
To be published
5ZKZ
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BU of 5zkz by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II(Y77F) Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
著者Zhang, X, Wan, Q.
登録日2018-03-26
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
5ZIW
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BU of 5ziw by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase(Y77F)
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Zhang, X, Wan, Q.
登録日2018-03-17
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published

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