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1AHI
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BU of 1ahi by Molmil
7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, GLYCOCHENODEOXYCHOLIC ACID
Authors:Tanaka, N, Nonaka, T, Mitsui, Y.
Deposit date:1995-08-25
Release date:1996-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli.
Biochemistry, 35, 1996
5GMD
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BU of 5gmd by Molmil
Crystal structure of Sulfolobus solfataricus diphosphomevalonate decarboxylase in complex with ATP-gamma-S
Descriptor: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, ADENOSINE MONOPHOSPHATE, Diphosphomevalonate decarboxylase, ...
Authors:Unno, H, Hemmi, H, Hattori, A.
Deposit date:2016-07-13
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Single Amino Acid Mutation Converts (R)-5-Diphosphomevalonate Decarboxylase into a Kinase
J. Biol. Chem., 292, 2017
5THA
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BU of 5tha by Molmil
Gemin5 WD40 repeats in complex with a guanosyl moiety
Descriptor: DIGUANOSINE-5'-TRIPHOSPHATE, Gem-associated protein 5, UNKNOWN ATOM OR ION
Authors:Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-10-19
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
7YKE
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BU of 7yke by Molmil
Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4,6-sulfate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, Chondroitin sulfate ABC endolyase, MAGNESIUM ION
Authors:Takashima, M, Watanabe, I, Miyanaga, A, Eguchi, T.
Deposit date:2022-07-22
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Biochemical and crystallographic assessments of the effect of 4,6-O-disulfated disaccharide moieties in chondroitin sulfate E on chondroitinase ABC I activity.
Febs J., 290, 2023
6PHF
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BU of 6phf by Molmil
Pfs25 in complex with the human transmission blocking antibody 2587
Descriptor: 25 kDa ookinete surface antigen, 2587 Antibody Fab, Heavy Chain, ...
Authors:McLeod, B.R, Julien, J.P.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25.
Nat Commun, 10, 2019
6OZB
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BU of 6ozb by Molmil
Crystal structure of the phycoerythrobilin-bound GAF domain from a cyanobacterial phytochrome
Descriptor: PHYCOERYTHROBILIN, Two-component sensor histidine kinase
Authors:Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
Deposit date:2019-05-15
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PHH
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BU of 6phh by Molmil
Unliganded human transmission blocking antibody 2544
Descriptor: 2544 Antibody Fab, Heavy Chain, Light Chain, ...
Authors:McLeod, B.R, Julien, J.P.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25.
Nat Commun, 10, 2019
6OZA
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BU of 6oza by Molmil
Crystal structure of the phycocyanobilin-bound GAF domain from a cyanobacterial phytochrome
Descriptor: PHYCOCYANOBILIN, Two-component sensor histidine kinase
Authors:Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y.
Deposit date:2019-05-15
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PHC
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BU of 6phc by Molmil
Pfs25 in complex with the human transmission blocking antibody 2544
Descriptor: 25 kDa ookinete surface antigen, 2544 Antibody Fab, Heavy Chain, ...
Authors:McLeod, B.R, Julien, J.P.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25.
Nat Commun, 10, 2019
6PHB
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BU of 6phb by Molmil
Pfs25 in complex with the human transmission blocking antibody 2530
Descriptor: 1,2-ETHANEDIOL, 25 kDa ookinete surface antigen, 2530 Antibody Fab, ...
Authors:McLeod, B.R, Julien, J.P.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25.
Nat Commun, 10, 2019
6PHG
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BU of 6phg by Molmil
Predicted germline variant of human transmission blocking antibody 2544
Descriptor: GLYCEROL, Germline 2544 Antibody Fab, Heavy Chain, ...
Authors:McLeod, B.R, Julien, J.P.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25.
Nat Commun, 10, 2019
6PHD
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BU of 6phd by Molmil
Pfs25 in complex with the human transmission blocking antibody 2586
Descriptor: 25 kDa ookinete surface antigen, 2586 Antibody Fab, Heavy Chain, ...
Authors:McLeod, B.R, Julien, J.P.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Potent antibody lineage against malaria transmission elicited by human vaccination with Pfs25.
Nat Commun, 10, 2019
1KZK
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BU of 1kzk by Molmil
JE-2147-HIV Protease Complex
Descriptor: (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Reiling, K.K, Endres, N.F, Dauber, D.S, Craik, C.S, Stroud, R.M.
Deposit date:2002-02-06
Release date:2002-04-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Anisotropic Dynamics of the JE-2147-HIV Protease Complex: Drug Resistance and Thermodynamic Binding Mode Examined in a 1.09 A Structure
Biochemistry, 41, 2002
8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-11-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
3GB2
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BU of 3gb2 by Molmil
GSK3beta inhibitor complex
Descriptor: 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta
Authors:Mol, C.D.
Deposit date:2009-02-18
Release date:2010-03-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability.
J.Med.Chem., 52, 2009
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
6OSP
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BU of 6osp by Molmil
Crystal Structure Analysis of PIP4K2A
Descriptor: 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-05-01
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors.
Cell Chem Biol, 27, 2020
5TF9
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BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Gunawan, J.
Deposit date:2016-09-24
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
8EEX
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BU of 8eex by Molmil
Cas7-11 in complex with Csx29
Descriptor: Cas7-11, Csx29, ZINC ION, ...
Authors:Demircioglu, F.E, Wilkinson, M.E, Strecker, J, Li, D, Faure, G, Macrae, R.K, Zhang, F.
Deposit date:2022-09-07
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:RNA-activated protein cleavage with a CRISPR-associated endopeptidase.
Science, 378, 2022
8EEY
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BU of 8eey by Molmil
Cas7-11 in complex with DR-mismatched target RNA, Csx29 and Csx30
Descriptor: Cas7-11, Csx29, Csx30, ...
Authors:Demircioglu, F.E, Wilkinson, M.E, Strecker, J, Li, D, Faure, G, Macrae, R.K, Zhang, F.
Deposit date:2022-09-07
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:RNA-activated protein cleavage with a CRISPR-associated endopeptidase.
Science, 378, 2022
6UVB
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BU of 6uvb by Molmil
Crystal structure of far-red-light absorbing cyanobacteriochrome at 100K
Descriptor: Multi-sensor signal transduction histidine kinase, PHYCOCYANOBILIN
Authors:Yang, X, Ren, Z, Bandara, S.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a far-red-sensing cyanobacteriochrome reveals an atypical bilin conformation and spectral tuning mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
6UX9
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BU of 6ux9 by Molmil
Crystal Structure Analysis of PIP4K2A
Descriptor: N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-07
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.
J.Med.Chem., 63, 2020
6UV8
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BU of 6uv8 by Molmil
Crystal structure of a far-red cyanobacteriochrome photoreceptor at room temperature
Descriptor: Multi-sensor signal transduction histidine kinase, PHYCOCYANOBILIN
Authors:Yang, X, Ren, Z, Bandara, S.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Crystal structure of a far-red-sensing cyanobacteriochrome reveals an atypical bilin conformation and spectral tuning mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XOX
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BU of 6xox by Molmil
cryo-EM of human GLP-1R bound to non-peptide agonist LY3502970
Descriptor: 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, Alpha subunit of Gs with N-terminus swapped with equivalent residues in Gi,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas, Glucagon-like peptide 1 receptor, ...
Authors:Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
Deposit date:2020-07-07
Release date:2020-11-18
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for GLP-1 receptor activation by LY3502970, an orally active nonpeptide agonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
7W64
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BU of 7w64 by Molmil
Crystal structure of minor pilin TcpB from Vibrio cholerae complexed with N-terminal peptide fragment of TcpF
Descriptor: CALCIUM ION, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
Authors:Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S.
Deposit date:2021-12-01
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor.
Sci Adv, 8, 2022

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数据于2024-07-03公开中

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