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6J2Q
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BU of 6j2q by Molmil
Yeast proteasome in Ub-accepted state (C1-b)
分子名称: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
著者Cong, Y.
登録日2019-01-02
公開日2019-03-13
最終更新日2019-04-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural Snapshots of 26S Proteasome Reveal Tetraubiquitin-Induced Conformations.
Mol. Cell, 73, 2019
6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
分子名称: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
3B82
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BU of 3b82 by Molmil
Structure of the eEF2-ExoA(E546H)-NAD+ complex
分子名称: Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Jorgensen, R, Merrill, A.R.
登録日2007-10-31
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The nature and character of the transition state for the ADP-ribosyltransferase reaction.
Embo Rep., 9, 2008
2ZEB
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BU of 2zeb by Molmil
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
分子名称: 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2
著者Spurlino, J.C, Lewandowski, F, Milligan, C.
登録日2007-12-08
公開日2008-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
6M2W
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BU of 6m2w by Molmil
Structure of RyR1 (Ca2+/Caffeine/ATP/CaM1234/CHL)
分子名称: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ...
著者Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
登録日2020-03-01
公開日2020-09-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
3B78
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BU of 3b78 by Molmil
Structure of the eEF2-ExoA(R551H)-NAD+ complex
分子名称: Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Jorgensen, R, Merrill, A.R.
登録日2007-10-30
公開日2008-06-17
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The nature and character of the transition state for the ADP-ribosyltransferase reaction.
Embo Rep., 9, 2008
7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
分子名称: Xylanase
著者Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
登録日2021-01-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
6N0Q
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BU of 6n0q by Molmil
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
分子名称: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6KBD
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BU of 6kbd by Molmil
fused To-MtbCsm1 with 2dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
著者Li, T, Huo, Y, Jiang, T.
登録日2019-06-24
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
3R0Y
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BU of 3r0y by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
3CLL
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BU of 3cll by Molmil
Crystal structure of the Spinach Aquaporin SoPIP2;1 S115E mutant
分子名称: Aquaporin
著者Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Trnroth-Horsefield, S.
登録日2008-03-19
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating.
J.Mol.Biol., 387, 2009
3CN6
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BU of 3cn6 by Molmil
Crystal structure of the Spinach Aquaporin SoPIP2;1 S274E mutant
分子名称: Aquaporin, CADMIUM ION
著者Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Tornroth-Horsefield, S.
登録日2008-03-25
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating.
J.Mol.Biol., 387, 2009
3CN5
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BU of 3cn5 by Molmil
Crystal structure of the Spinach Aquaporin SoPIP2;1 S115E, S274E mutant
分子名称: Aquaporin
著者Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Tornroth-Horsefield, S.
登録日2008-03-25
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating.
J.Mol.Biol., 387, 2009
3QBY
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BU of 3qby by Molmil
Crystal structure of the PWWP domain of human Hepatoma-derived growth factor 2
分子名称: H4K20me3 Histone H4 Peptide, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ...
著者Zeng, H, Tempel, W, Amaya, M.F, Adams-Cioaba, M.A, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-01-14
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3QJ6
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BU of 3qj6 by Molmil
The crystal structure of PWWP domain of human Hepatoma-derived growth factor 2 in complex with H3K79me3 peptide
分子名称: H3K79me3, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ...
著者Zeng, H, Amaya, M.F, Tempel, W, Walker, J.R, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-01-28
公開日2011-02-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3QKJ
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BU of 3qkj by Molmil
The PWWP domain of human DNA (CYTOSINE-5-)-METHYLTRANSFERASE 3 BETA in complex with a bis-tris molecule
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA cytosine-5 methyltransferase 3 beta isoform 6 variant, SULFATE ION
著者Zeng, H, Amaya, M.F, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-02-01
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
8HC0
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BU of 8hc0 by Molmil
Crystal structure of the extracellular domains of GPR110
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G-protein coupled receptor F1, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, F.F, Song, G.J.
登録日2022-11-01
公開日2023-09-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Extracellular Domains of GPR110.
J.Mol.Biol., 435, 2023
6KC0
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BU of 6kc0 by Molmil
fused To-MtbCsm1 with 2ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
著者Li, T, Huo, Y, Jiang, T.
登録日2019-06-26
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
6IN8
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BU of 6in8 by Molmil
Crystal structure of MucB
分子名称: Sigma factor AlgU regulatory protein MucB
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
6IH0
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BU of 6ih0 by Molmil
Aquifex aeolicus LpxC complex with ACHN-975
分子名称: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, ...
著者Li, D.Y, Fan, S, Jin, Y.Y, Zhang, C, Lv, G.X, Wu, G.T, Yang, Z.Y.
登録日2018-09-27
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献The Complex Structure of Protein AaLpxC from Aquifex aeolicus with ACHN-975 Molecule Suggests an Inhibitory Mechanism at Atomic-Level against Gram-Negative Bacteria
Molecules, 26, 2021
6IN9
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BU of 6in9 by Molmil
Crystal structure of MucB in complex with MucA(peri)
分子名称: Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
6IN7
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BU of 6in7 by Molmil
Crystal structure of AlgU in complex with MucA(cyto)
分子名称: NICOTINAMIDE, RNA polymerase sigma-H factor, Sigma factor AlgU negative regulatory protein
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
5XSU
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BU of 5xsu by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
6J9M
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BU of 6j9m by Molmil
NmeBH+AcrIIC2
分子名称: AcrIIC2, CRISPR-associated endonuclease Cas9
著者Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
登録日2019-01-23
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
6J9K
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Apo-AcrIIC2
分子名称: AcrIIC2, MAGNESIUM ION
著者Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
登録日2019-01-23
公開日2019-03-06
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.234 Å)
主引用文献Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019

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