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8FP6
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BU of 8fp6 by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2023-01-04
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of hen egg white lysozyme
To be published
6WIO
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BU of 6wio by Molmil
Fab antigen complex
Descriptor: Fab Heavy chain, Fab Light chain, Interleukin-17A
Authors:Antonysamy, S.
Deposit date:2020-04-10
Release date:2020-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
8IC6
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BU of 8ic6 by Molmil
exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-10
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8FMF
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BU of 8fmf by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (1 tetramer in the AU)
Descriptor: Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-23
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
6WEY
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BU of 6wey by Molmil
High-resolution structure of the SARS-CoV-2 NSP3 Macro X domain
Descriptor: Non-structural protein 3
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2020-04-03
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Molecular Basis for ADP-Ribose Binding to the Mac1 Domain of SARS-CoV-2 nsp3.
Biochemistry, 59, 2020
8I30
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BU of 8i30 by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 32j
Descriptor: (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2023-01-16
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
8FPM
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BU of 8fpm by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2023-01-05
Release date:2024-01-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of hen egg white lysozyme
To Be Published
8FSF
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BU of 8fsf by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2023-01-09
Release date:2024-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of hen egg white lysozyme
To Be Published
5JIO
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BU of 5jio by Molmil
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary complex with ADP and Glucose-6-phosphate.
Descriptor: 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
Deposit date:2016-04-22
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
8FT2
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BU of 8ft2 by Molmil
Crystal structure of hen egg white lysozyme
Descriptor: Lysozyme C, SODIUM ION
Authors:Lima, L.M.T.R, Ramos, N.G.
Deposit date:2023-01-11
Release date:2024-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of hen egg white lysozyme
To Be Published
6WK3
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BU of 6wk3 by Molmil
Engineered carbene transferase RmaNOD Q52V, putative nitric oxide dioxygenase from Rhodothermus marinus
Descriptor: ACETATE ION, COPPER (II) ION, Nitric oxide dioxygenase, ...
Authors:Knight, A.M, Arnold, F.H.
Deposit date:2020-04-15
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks.
Acs Catalysis, 10, 2020
8FV3
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BU of 8fv3 by Molmil
EGFR(T790M/V948R) in complex with compound 1 (LN4503)
Descriptor: Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ...
Authors:Ogboo, B.C, Heppner, D.E.
Deposit date:2023-01-18
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024
5JNF
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BU of 5jnf by Molmil
Crystal structure of the LgrA initiation module excluding the Asub domain: F-A-delta-sub
Descriptor: FORMIC ACID, Linear gramicidin synthase subunit A
Authors:Reimer, J.M, Aloise, M.N, Schmeing, T.M.
Deposit date:2016-04-29
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Manipulation of an existing crystal form unexpectedly results in interwoven packing networks with pseudo-translational symmetry
Acta Crystallogr.,Sect.D, 72, 2016
8IC8
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BU of 8ic8 by Molmil
Exo-alpha-D-arabinofuranosidase from Microbacterium arabinogalactanolyticum
Descriptor: Exo-alpha-D-arabinofuranosidase, PHOSPHATE ION
Authors:Kashima, T, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-11
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8FYY
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BU of 8fyy by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT5 (compound 10)
Descriptor: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-27
Release date:2024-02-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
5JGI
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BU of 5jgi by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with M45 compound
Descriptor: N-ALPHA-L-ACETYL-ARGININE, Neuropilin-1
Authors:Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
Deposit date:2016-04-20
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
8FM1
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BU of 8fm1 by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae in the absence of a ligand (apo form dimer)
Descriptor: SAVED domain-containing protein, ZINC ION
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-22
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
6WMV
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BU of 6wmv by Molmil
Structure of a phosphatidylinositol-phosphate synthase (PIPS) from Mycobacterium kansasii with evidence of substrate binding
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,3',3''-phosphanetriyltripropanoic acid, AfCTD-Phosphatidylinositol-phosphate synthase (PIPS) fusion, ...
Authors:Belcher Dufrisne, M, Jorge, C.D, Timoteo, C.G, Petrou, V.I, Ashraf, K.U, Banerjee, S, Clarke, O.B, Santos, H, Mancia, F.
Deposit date:2020-04-21
Release date:2020-05-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:Structural and Functional Characterization of Phosphatidylinositol-Phosphate Biosynthesis in Mycobacteria.
J.Mol.Biol., 432, 2020
5JIQ
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BU of 5jiq by Molmil
Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
Descriptor: GLYCEROL, SODIUM ION, Transthyretin, ...
Authors:Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-04-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
8FMG
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BU of 8fmg by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand (3 tetramers in the AU)
Descriptor: Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate, MAGNESIUM ION, SAVED domain-containing protein, ...
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-23
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
8FMH
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BU of 8fmh by Molmil
Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-dGAMP ligand (2 tetramers in the AU)
Descriptor: 3'2'-cGAMP, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K.
Deposit date:2022-12-23
Release date:2024-02-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
5JIB
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BU of 5jib by Molmil
Crystal structure of the Thermotoga maritima acetyl esterase (TM0077) complex with a substrate analog
Descriptor: Cephalosporin-C deacetylase, [(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid
Authors:Manoj, N.
Deposit date:2016-04-22
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of Thermotoga maritima acetyl esterase complex with a substrate analog: Insights into the distinctive substrate specificity in the CE7 carbohydrate esterase family
Biochem. Biophys. Res. Commun., 476, 2016
5B0E
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BU of 5b0e by Molmil
Polyketide cyclase OAC from Cannabis sativa, V59M mutant
Descriptor: GLYCEROL, Olivetolic acid cyclase
Authors:Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H.
Deposit date:2015-10-28
Release date:2016-01-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
6WO0
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BU of 6wo0 by Molmil
human Artemis/SNM1C catalytic domain, crystal form 1
Descriptor: GLYCEROL, Protein artemis, ZINC ION
Authors:Karim, F, Liu, S, Laciak, A.R, Volk, L, Rosenblum, M, Curtis, R, Huang, N, Carr, G, Zhu, G.
Deposit date:2020-04-23
Release date:2020-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural analysis of the catalytic domain of Artemis endonuclease/SNM1C reveals distinct structural features.
J.Biol.Chem., 295, 2020
8HZZ
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BU of 8hzz by Molmil
GuApiGT (UGT79B74)
Descriptor: SULFATE ION, apiosyltransferase
Authors:Wang, H.T, Wang, Z.L, Li, F.D, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023

226707

数据于2024-10-30公开中

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