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6JU7
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BU of 6ju7 by Molmil
Aspergillus oryzae active-tyrosinase copper-depleted C92A mutant complexed with L-tyrosine
Descriptor: NITRATE ION, TYROSINE, Tyrosinase
Authors:Fujieda, N, Umakoshi, K, Nishikawa, Y, Kurisu, G, Itoh, S.
Deposit date:2019-04-13
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JUH
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BU of 6juh by Molmil
structure of CavAb in complex with efonidipine
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[phenyl-(phenylmethyl)amino]ethyl (4~{R})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, ...
Authors:Tang, L, Xu, F.
Deposit date:2019-04-13
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for efonidipine block of a voltage-gated Ca2+channel.
Biochem.Biophys.Res.Commun., 513, 2019
6KKU
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BU of 6kku by Molmil
human KCC1 structure determined in NaCl and GDN
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KLH
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BU of 6klh by Molmil
Dimeric structure of Machupo virus polymerase bound to vRNA promoter
Descriptor: MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ...
Authors:Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
Deposit date:2019-07-30
Release date:2020-03-18
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KMD
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BU of 6kmd by Molmil
Crystal structure of SeMet-phytochromobilin synthase from tomato in complex with biliverdin
Descriptor: BILIVERDINE IX ALPHA, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Sugishima, M, Wada, K, Fukuyama, K.
Deposit date:2019-07-31
Release date:2019-12-18
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of phytochromobilin synthase in complex with biliverdin IX alpha , a key enzyme in the biosynthesis of phytochrome.
J.Biol.Chem., 295, 2020
6JUW
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BU of 6juw by Molmil
BOVINE HEART CYTOCHROME C OXIDASE IN CATALITIC INTERMEDIATES AT 1.80 ANGSTROM RESOLUTION
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Muramoto, K, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T.
Deposit date:2019-04-15
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structures of catalytic intermediates of cytochromecoxidase provide insights into its O2activation and unidirectional proton-pump mechanisms.
J.Biol.Chem., 295, 2020
6KMW
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BU of 6kmw by Molmil
Structure of PSI from H. hongdechloris grown under white light condition
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F.
Deposit date:2019-08-01
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural basis for the adaptation and function of chlorophyll f in photosystem I.
Nat Commun, 11, 2020
6JX0
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BU of 6jx0 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Yun, C.H, Yan, X.E, Zhu, S.J.
Deposit date:2019-04-21
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6JX5
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BU of 6jx5 by Molmil
Hect domain of AREL1
Descriptor: Apoptosis-resistant E3 ubiquitin protein ligase 1
Authors:Sivaraman, J, Singh, S, Ng, J, Nayak, D.
Deposit date:2019-04-22
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro.
J.Biol.Chem., 294, 2019
6JXS
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BU of 6jxs by Molmil
Crystal Structure of Indigo reductase (Y151F) from Bacillus smithii type strain DSM 4216
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Yoneda, K, Sakuraba, H, Ohshima, T.
Deposit date:2019-04-24
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and biochemical characterization of an extremely thermostable FMN-dependent NADH-indigo reductase from Bacillus smithii.
Int.J.Biol.Macromol., 164, 2020
6JY1
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BU of 6jy1 by Molmil
Crystal Structure of a Group II pyridoxal dependent decarboxylase, LLP-bound form from Methanocaldococcus jannaschii at 1.72 A
Descriptor: GLYCEROL, L-tyrosine/L-aspartate decarboxylase, SULFATE ION
Authors:Manoj, N, Gayathri, S.C.
Deposit date:2019-04-25
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural insights into the mechanism of internal aldimine formation and catalytic loop dynamics in an archaeal Group II decarboxylase.
J.Struct.Biol., 208, 2019
6KNM
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BU of 6knm by Molmil
Apelin receptor in complex with single domain antibody
Descriptor: Apelin receptor,Rubredoxin,Apelin receptor, Single domain antibody JN241, ZINC ION
Authors:Ma, Y.B, Ding, Y, Song, X, Ma, X, Li, X, Zhang, N, Song, Y, Sun, Y, Shen, Y, Zhong, W, Hu, L.A, Ma, Y.L, Zhang, M.Y.
Deposit date:2019-08-06
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-guided discovery of a single-domain antibody agonist against human apelin receptor.
Sci Adv, 6, 2020
6KNV
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BU of 6knv by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6JSN
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BU of 6jsn by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I.
Deposit date:2019-04-08
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
6JY7
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BU of 6jy7 by Molmil
Structure of light-state marine bacterial chloride importer, NM-R3, with Pulse laser (ND-1%) at 95K.
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Ohki, M, Park, S.Y, Lee, W.
Deposit date:2019-04-26
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pumping mechanism of NM-R3, a light-driven bacterial chloride importer in the rhodopsin family.
Sci Adv, 6, 2020
6JYD
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BU of 6jyd by Molmil
Structure of light-state marine bacterial chloride importer, NM-R3, with CW laser (ND-30%) at 95K.
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Ohki, M, Park, S.Y, Lee, W.
Deposit date:2019-04-26
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Pumping mechanism of NM-R3, a light-driven bacterial chloride importer in the rhodopsin family.
Sci Adv, 6, 2020
6JYN
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BU of 6jyn by Molmil
GII.13/21 noroviruses recognize glycans with a terminal beta-galactose via an unconventional glycan binding site
Descriptor: beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, human norovirus P domain protein
Authors:Duan, Z, Xin, C.
Deposit date:2019-04-26
Release date:2019-05-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:GII.13/21 Noroviruses Recognize Glycans with a Terminal beta-Galactose via an Unconventional Glycan Binding Site.
J.Virol., 93, 2019
6JT1
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BU of 6jt1 by Molmil
Structure of human soluble guanylate cyclase in the heme oxidised state
Descriptor: Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Chen, L, Kang, Y, Liu, R, Wu, J.-X.
Deposit date:2019-04-08
Release date:2019-08-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into the mechanism of human soluble guanylate cyclase.
Nature, 574, 2019
6JTG
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BU of 6jtg by Molmil
Structural insights into G domain dimerization and pathogenic mutations of OPA1
Descriptor: BERYLLIUM TRIFLUORIDE ION, Dynamin-like 120 kDa protein, mitochondrial,OPA1 protein, ...
Authors:Yan, L, Hu, J.
Deposit date:2019-04-11
Release date:2020-04-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into G domain dimerization and pathogenic mutation of OPA1.
J.Cell Biol., 219, 2020
6JTL
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BU of 6jtl by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
Descriptor: Beta-hexosaminidase, ZINC ION
Authors:Chen, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
To Be Published
6JU1
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BU of 6ju1 by Molmil
p-Hydroxybenzoate hydroxylase Y385F mutant complexed with 3,4-dihydroxybenzoate
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-hydroxybenzoate 3-monooxygenase, ...
Authors:Yato, M, Arakawa, T, Yamada, C, Fushinobu, S.
Deposit date:2019-04-12
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Understanding the Molecular Mechanism Underlying the High Catalytic Activity ofp-Hydroxybenzoate Hydroxylase Mutants for Producing Gallic Acid.
Biochemistry, 58, 2019
6JZ4
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BU of 6jz4 by Molmil
b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro-d-lactam
Descriptor: (2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-glucuronidase
Authors:Dashnyam, P, Lin, H.Y.
Deposit date:2019-04-30
Release date:2020-06-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
6JZO
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BU of 6jzo by Molmil
Structure of the mouse TRPC4 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2019-05-03
Release date:2020-10-21
Last modified:2021-05-05
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the mouse TRPC4 ion channel
To Be Published
6K0K
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BU of 6k0k by Molmil
Crystal structure of Escherichia coli pyruvate kinase II
Descriptor: CITRIC ACID, MAGNESIUM ION, Pyruvate kinase
Authors:Zhao, C.H, Zhang, Y.P, Li, Y.
Deposit date:2019-05-07
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of Escherichia coli pyruvate kinase II
To Be Published
6K17
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BU of 6k17 by Molmil
Crystal structure of EXD2 exonuclease domain
Descriptor: Exonuclease 3'-5' domain-containing protein 2, SODIUM ION
Authors:Park, J, Lee, C.
Deposit date:2019-05-10
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:The structure of human EXD2 reveals a chimeric 3' to 5' exonuclease domain that discriminates substrates via metal coordination.
Nucleic Acids Res., 47, 2019

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数据于2024-10-16公开中

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