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6J2Q
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BU of 6j2q by Molmil
Yeast proteasome in Ub-accepted state (C1-b)
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Cong, Y.
Deposit date:2019-01-02
Release date:2019-03-13
Last modified:2019-04-10
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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)
Descriptor: 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
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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
Descriptor: Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jorgensen, R, Merrill, A.R.
Deposit date:2007-10-31
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2
Authors:Spurlino, J.C, Lewandowski, F, Milligan, C.
Deposit date:2007-12-08
Release date:2008-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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)
Descriptor: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ...
Authors:Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
Deposit date:2020-03-01
Release date:2020-09-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jorgensen, R, Merrill, A.R.
Deposit date:2007-10-30
Release date:2008-06-17
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Xylanase
Authors:Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
Deposit date:2021-01-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.804 Å)
Cite: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.
Descriptor: 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
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: 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
Authors:Li, T, Huo, Y, Jiang, T.
Deposit date:2019-06-24
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 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
Authors:Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
Deposit date:2011-03-09
Release date:2012-04-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Aquaporin
Authors:Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Trnroth-Horsefield, S.
Deposit date:2008-03-19
Release date:2009-02-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Aquaporin, CADMIUM ION
Authors:Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Tornroth-Horsefield, S.
Deposit date:2008-03-25
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: Aquaporin
Authors:Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Tornroth-Horsefield, S.
Deposit date:2008-03-25
Release date:2009-02-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: H4K20me3 Histone H4 Peptide, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ...
Authors: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)
Deposit date:2011-01-14
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: H3K79me3, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ...
Authors: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)
Deposit date:2011-01-28
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA cytosine-5 methyltransferase 3 beta isoform 6 variant, SULFATE ION
Authors: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)
Deposit date:2011-02-01
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: 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
Authors:Wang, F.F, Song, G.J.
Deposit date:2022-11-01
Release date:2023-09-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 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
Authors:Li, T, Huo, Y, Jiang, T.
Deposit date:2019-06-26
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.295 Å)
Cite: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
Descriptor: Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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, ...
Authors:Li, D.Y, Fan, S, Jin, Y.Y, Zhang, C, Lv, G.X, Wu, G.T, Yang, Z.Y.
Deposit date:2018-09-27
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.21 Å)
Cite: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)
Descriptor: Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite: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)
Descriptor: NICOTINAMIDE, RNA polymerase sigma-H factor, Sigma factor AlgU negative regulatory protein
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: 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
Authors:Liu, Q, Xu, Y.
Deposit date:2017-06-15
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: AcrIIC2, CRISPR-associated endonuclease Cas9
Authors:Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
Deposit date:2019-01-23
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
6J9K
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BU of 6j9k by Molmil
Apo-AcrIIC2
Descriptor: AcrIIC2, MAGNESIUM ION
Authors:Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
Deposit date:2019-01-23
Release date:2019-03-06
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.234 Å)
Cite:Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019

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数据于2024-08-14公开中

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