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6MDO
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BU of 6mdo by Molmil
The D1 and D2 domain rings of NSF engaging the SNAP-25 N-terminus within the 20S supercomplex (focused refinement on D1/D2 rings, class 1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Synaptosomal-associated protein 25, ...
Authors:White, K.I, Zhao, M, Brunger, A.T.
Deposit date:2018-09-04
Release date:2018-09-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural principles of SNARE complex recognition by the AAA+ protein NSF.
Elife, 7, 2018
7S3T
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BU of 7s3t by Molmil
NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
6M4H
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BU of 6m4h by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
Descriptor: DNA (103-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ...
Authors:Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
Deposit date:2020-03-07
Release date:2020-09-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
6M7E
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BU of 6m7e by Molmil
Structure of bovine lactoperoxidase with multiple iodide ions in the distaline heme cavity.
Descriptor: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Maurya, A, Viswanathan, V, Pandey, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2020-03-18
Release date:2020-04-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of bovine lactoperoxidase with multiple iodide ions in the distaline heme cavity.
To Be Published
6M0R
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BU of 6m0r by Molmil
2.7A Yeast Vo state3
Descriptor: (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, PYROPHOSPHATE, ...
Authors:Roh, S.H, Shekhar, M, Pintilie, G, Chipot, C, Wilkens, S, Singharoy, A, Chiu, W.
Deposit date:2020-02-22
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V o complex.
Sci Adv, 6, 2020
8BYQ
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BU of 8byq by Molmil
RNA polymerase II pre-initiation complex with the proximal +1 nucleosome (PIC-Nuc10W)
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P.
Deposit date:2022-12-14
Release date:2023-05-03
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
6R8F
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BU of 6r8f by Molmil
Cryo-EM structure of the Human BRISC-SHMT2 complex
Descriptor: BRISC and BRCA1-A complex member 2,BRCC45 (BRE, BRISC and BRCA1-A complex member 2), BRISC complex subunit Abraxas 2, ...
Authors:Walden, M, Hesketh, E, Tian, L, Ranson, N.A, Greenberg, R.A, Zeqiraj, E.
Deposit date:2019-04-01
Release date:2019-06-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Metabolic control of BRISC-SHMT2 assembly regulates immune signalling.
Nature, 570, 2019
6R8S
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BU of 6r8s by Molmil
Crystal structure of aIF2gamma subunit I181K from archaeon Sulfolobus solfataricus complexed with GDPCP
Descriptor: FORMIC ACID, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Kravchenko, O, Arkhipova, V, Gabdulkhakov, A, Stolboushkina, E, Nikonov, O, Garber, M, Nikonov, S.
Deposit date:2019-04-02
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of aIF2gamma subunit I181K from archaeon Sulfolobus solfataricus complexed with GDPCP
To Be Published
8COK
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BU of 8cok by Molmil
Structural analysis of ING3 protein and its binding to histone H3
Descriptor: Inhibitor of growth protein 3
Authors:Ferreras-Gutierrez, M, Medrano, F.J, Blanco, F.J.
Deposit date:2023-02-28
Release date:2023-05-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural analysis of ING3 protein and histone H3 binding.
Int.J.Biol.Macromol., 242, 2023
9EY8
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BU of 9ey8 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (s)-amino-L-tyrosine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-01
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
6R5L
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BU of 6r5l by Molmil
Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
Deposit date:2019-03-25
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.884 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RBW
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BU of 6rbw by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(4-azidobutyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RC6
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BU of 6rc6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RCP
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BU of 6rcp by Molmil
Crystal structure of the OmpK36 clinical isolate ST258 from Klebsiella pneumonia
Descriptor: OmpK36
Authors:Beis, K, Romano, M, Kwong, J.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.231 Å)
Cite:OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
8CDA
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BU of 8cda by Molmil
Crystal structure of MAB_4123 from Mycobacterium abscessus
Descriptor: GLYCEROL, PHOSPHATE ION, Probable monooxygenase
Authors:Ung, K.L, Poussineau, C, Couston, J, Alsarraf, H.M.A.B, Blaise, M.
Deposit date:2023-01-30
Release date:2023-05-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of MAB_4123, a putative flavin-dependent monooxygenase from Mycobacterium abscessus.
Acta Crystallogr.,Sect.F, 79, 2023
9EY5
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BU of 9ey5 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (S)-2,4-dihydroxyphenylalanine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-L-tyrosine, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
9EY7
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BU of 9ey7 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (R)-2,4-dihydroxyphenylalanine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-L-tyrosine, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
6R6N
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BU of 6r6n by Molmil
Recombinantly produced Kusta0087/Kusta0088 Complex, C32M/C101M mutant
Descriptor: HEME C, KustA0088, Small soluble cyt c
Authors:Akram, M, Barends, T.
Deposit date:2019-03-27
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A nitric oxide-binding heterodimeric cytochromeccomplex from the anammox bacteriumKuenenia stuttgartiensisbinds to hydrazine synthase.
J.Biol.Chem., 294, 2019
6RBS
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BU of 6rbs by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 8-bromanyl-9-pent-4-ynyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.324 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBZ
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BU of 6rbz by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.318 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
8CQY
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BU of 8cqy by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide
Descriptor: Disintegrin and metalloproteinase domain-containing protein 17, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3
Authors:Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C.
Deposit date:2023-03-07
Release date:2023-05-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity.
Front Mol Biosci, 10, 2023
6R9T
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BU of 6r9t by Molmil
Cryo-EM structure of autoinhibited human talin-1
Descriptor: Talin-1
Authors:Dedden, D, Schumacher, S, Zacharias, M, Biertumpfel, C, Mizuno, N.
Deposit date:2019-04-04
Release date:2019-10-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:The Architecture of Talin1 Reveals an Autoinhibition Mechanism.
Cell, 179, 2019
6RBP
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BU of 6rbp by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 9-(4-azidobutyl)purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RBY
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BU of 6rby by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
8C3M
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BU of 8c3m by Molmil
Crystal structure of ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) V329H mutant from Bacillus cereus
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ...
Authors:Dahlen, S.A.B, Hammerstad, M, Hersleth, H.-P.
Deposit date:2022-12-26
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction.
Antioxidants, 12, 2023

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數據於2024-07-17公開中

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