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6M25
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BU of 6m25 by Molmil
Sirohydrochlorin nickelochelatase CfbA in P41 space group
Descriptor: Sirohydrochlorin cobaltochelatase
Authors:Fujishiro, T.
Deposit date:2020-02-26
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
6M27
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BU of 6m27 by Molmil
Sirohydrochlorin nickelochelatase CfbA in complex with Ni2+
Descriptor: NICKEL (II) ION, Sirohydrochlorin cobaltochelatase
Authors:Fujishiro, T.
Deposit date:2020-02-26
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
6M2A
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BU of 6m2a by Molmil
A non-His-rich type of chimeric sirohydrochlorin nickelochelatase CfbA from M. jannaschii and M. barkeri
Descriptor: SULFATE ION, Sirohydrochlorin cobaltochelatase,Sirohydrochlorin cobaltochelatase,Sirohydrochlorin cobaltochelatase
Authors:Fujishiro, T.
Deposit date:2020-02-26
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
3EJS
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BU of 3ejs by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5S)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine
Descriptor: (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Shea, K, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
6MCB
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BU of 6mcb by Molmil
CryoEM structure of AcrIIA2 in complex with CRISPR-Cas9
Descriptor: Anti-CRISPR protein AcrIIA2, CRISPR-associated endonuclease Cas9, Single guide RNA (116-MER)
Authors:Jiang, F, Liu, J.J, Doudna, J.A.
Deposit date:2018-08-31
Release date:2019-01-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Temperature-Responsive Competitive Inhibition of CRISPR-Cas9.
Mol. Cell, 73, 2019
6M2E
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BU of 6m2e by Molmil
Sirohydrochlorin nickelochelatase CfbA in complex with sirohydrochlorin
Descriptor: 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, Sirohydrochlorin cobaltochelatase
Authors:Fujishiro, T.
Deposit date:2020-02-27
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
3EJT
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BU of 3ejt by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5R)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine
Descriptor: (1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Shea, K, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
6JKM
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BU of 6jkm by Molmil
Crystal structure of BubR1 kinase domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
Deposit date:2019-03-01
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
6JRE
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BU of 6jre by Molmil
Structure of N-terminal domain of Plasmodium vivax p43 (PfNTD) solved by Co-SAD phasing
Descriptor: Aminoacyl-tRNA synthetase-interacting multifunctional protein p43, COBALT (II) ION
Authors:Manickam, Y, Harlos, K, Sharma, M, Gupta, S, Sharma, A.
Deposit date:2019-04-03
Release date:2020-03-11
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein.
Acta Crystallogr D Struct Biol, 76, 2020
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY3
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BU of 4zy3 by Molmil
Crystal Structure of Keap1 in Complex with a small chemical compound, K67
Descriptor: FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
Authors:Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M.
Deposit date:2015-05-21
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming
Nat Commun, 7, 2016
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6KG1
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BU of 6kg1 by Molmil
NifS from Helicobacter pylori, soaked with L-cysteine for 180 sec
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, CHLORIDE ION, Cysteine desulfurase IscS, ...
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2019-07-09
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6M5Y
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BU of 6m5y by Molmil
Structure of human galectin-1 tandem-repeat mutant with lactose
Descriptor: Galectin-1,Galectin-1, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Nonaka, Y, Kamitori, S, Nakamura, T.
Deposit date:2020-03-12
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure and conformational stability of a galectin-1 tandem-repeat mutant with a short linker.
Glycobiology, 2021
4KP5
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BU of 4kp5 by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-13
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4KNJ
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BU of 4knj by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-10
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
3DDG
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BU of 3ddg by Molmil
GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) methylpyrrolidin-2-one
Descriptor: (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R, Hoffman, D.
Deposit date:2008-06-05
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site
Bioorg.Med.Chem., 16, 2008
6M2F
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BU of 6m2f by Molmil
Sirohydrochlorin nickelochelatase CfbA in complex with nickel-sirohydrochlorin
Descriptor: Sirohydrochlorin cobaltochelatase, nickel-sirohydrochlorin
Authors:Fujishiro, T.
Deposit date:2020-02-27
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
3DCO
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BU of 3dco by Molmil
Drosophila NOD (3DC4) and Bovine Tubulin (1JFF) Docked into the 11-Angstrom Cryo-EM Map of Nucleotide-Free NOD Complexed to the Microtubule
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bovine Alpha Tubulin, Bovine Beta Tubulin, ...
Authors:Sindelar, C.V, Cochran, J.C, Kull, F.J.
Deposit date:2008-06-04
Release date:2009-02-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (11 Å)
Cite:ATPase cycle of the nonmotile kinesin NOD allows microtubule end tracking and drives chromosome movement.
Cell(Cambridge,Mass.), 136, 2009
6MFJ
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BU of 6mfj by Molmil
Crystal structure of the ADCC potent antibody DH677.3 Fab elicited in the RV305 vaccine trial.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH677.3 Fab heavy chain, DH677.3 Fab light chain
Authors:Young, B, Tolbert, W.D, Pazgier, M.
Deposit date:2018-09-11
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
6MEM
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BU of 6mem by Molmil
A unique supramolecular organization of photosystem I in the moss Physcomitrella patens
Descriptor: Chlorophyll A/B binding protein 1, Chlorophyll A/B binding protein 10, Chlorophyll A/B binding protein 11, ...
Authors:Iwai, M, Grob, P.
Deposit date:2018-09-06
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (11.6 Å)
Cite:A unique supramolecular organization of photosystem I in the moss Physcomitrella patens.
Nat Plants, 4, 2018
4KP8
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BU of 4kp8 by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 3-[(Pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-05-13
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
3HBN
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BU of 3hbn by Molmil
Crystal structure PseG-UDP complex from Campylobacter jejuni
Descriptor: CHLORIDE ION, GLYCEROL, UDP-sugar hydrolase, ...
Authors:Rangarajan, E.S, Proteau, A, Cygler, M, Matte, A, Sulea, T, Schoenhofen, I.C.
Deposit date:2009-05-04
Release date:2009-05-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional analysis of Campylobacter jejuni PseG: a udp-sugar hydrolase from the pseudaminic acid biosynthetic pathway.
J.Biol.Chem., 284, 2009
3H59
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BU of 3h59 by Molmil
Hepatitis C virus polymerase NS5B with thiazine inhibitor 2
Descriptor: N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-04-21
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids
Bioorg.Med.Chem.Lett., 19, 2009

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数据于2024-09-25公开中

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