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6PAW
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BU of 6paw by Molmil
Crystal structure of DAPK2 S308A Calcium/Calmodulin complex
Descriptor: CALCIUM ION, Calmodulin-1, Death-associated protein kinase 2
Authors:Simon, B, Wilmanns, M.
Deposit date:2019-06-12
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.953 Å)
Cite:Crystal structure of Death-associated protein kinase 2 in complex with Calcium Calmodulin
To Be Published
7TJJ
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BU of 7tjj by Molmil
S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with docked Orc6 N-terminal domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ...
Authors:Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F.
Deposit date:2022-01-16
Release date:2022-10-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
3MM0
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BU of 3mm0 by Molmil
Crystal structure of chimeric avidin
Descriptor: Avidin, Avidin-related protein 4/5
Authors:Livnah, O, Eisenberg-Domovich, Y, Maatta, J.A.E, Kulomaa, M.S, Hytonen, V.P, Nordlund, H.R.
Deposit date:2010-04-19
Release date:2010-10-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Chimeric avidin shows stability against harsh chemical conditions-biochemical analysis and 3D structure.
Biotechnol.Bioeng., 108, 2011
7SZK
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BU of 7szk by Molmil
Cryo-EM structure of 27a bound to E. coli RNAP and rrnBP1 promoter complex
Descriptor: (2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate, DNA (5'-D(P*CP*TP*CP*GP*TP*AP*GP*AP*GP*TP*CP*CP*GP*TP*GP*TP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2021-11-28
Release date:2022-07-13
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Optimization of Benzoxazinorifamycins to Improve Mycobacterium tuberculosis RNA Polymerase Inhibition and Treatment of Tuberculosis.
Acs Infect Dis., 8, 2022
6IW7
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BU of 6iw7 by Molmil
structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
Descriptor: (2S)-2-benzamido-4-methyl-pentanoic acid, 4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, ATP-dependent Clp protease proteolytic subunit 1, ...
Authors:Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
Deposit date:2018-12-04
Release date:2020-01-01
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.692121 Å)
Cite:structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
To Be Published
7SZJ
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BU of 7szj by Molmil
Cryo-EM structure of Rifamycin bound to E. coli RNAP and rrnBP1 promoter complex
Descriptor: DNA (49-MER), DNA (57-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2021-11-28
Release date:2022-07-13
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Optimization of Benzoxazinorifamycins to Improve Mycobacterium tuberculosis RNA Polymerase Inhibition and Treatment of Tuberculosis.
Acs Infect Dis., 8, 2022
3M2R
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BU of 3m2r by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-08
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
6P8O
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BU of 6p8o by Molmil
Structure of P. aeruginosa ATCC27853 HORMA2-deltaC
Descriptor: CHLORIDE ION, HORMA domain containing protein, NICKEL (II) ION
Authors:Ye, Q, Corbett, K.D, Lau, R.K.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
3M5M
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BU of 3m5m by Molmil
Avoiding drug resistance against HCV NS3/4A protease inhibitors
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FDEMEEC Peptide, NS3/4A, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2010-03-12
Release date:2010-11-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
6IK9
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BU of 6ik9 by Molmil
HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2018-10-15
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.435 Å)
Cite:Active-site deformation in the structure of HIV-1 RT with HBV-associated septuple amino acid substitutions rationalizes the differential susceptibility of HIV-1 and HBV against 4'-modified nucleoside RT inhibitors.
Biochem. Biophys. Res. Commun., 509, 2019
3MGQ
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BU of 3mgq by Molmil
Binding of Nickel ions to the Nucleosome Core Particle
Descriptor: CHLORIDE ION, DNA (147-MER), Histone H2A, ...
Authors:Mohideen, K, Muhammad, R, Davey, C.A.
Deposit date:2010-04-07
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Perturbations in nucleosome structure from heavy metal association.
Nucleic Acids Res., 38, 2010
6ILR
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BU of 6ilr by Molmil
Structure of Arabidopsis thaliana Ribokinase in unligand form
Descriptor: Ribokinase, SODIUM ION, TETRAETHYLENE GLYCOL
Authors:Kang, P, Oh, J, Rhee, S.
Deposit date:2018-10-19
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.972 Å)
Cite:Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
7U1P
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BU of 7u1p by Molmil
RFC:PCNA bound to DNA with a ssDNA gap of five nucleotides
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ...
Authors:Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A.
Deposit date:2022-02-21
Release date:2022-07-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
3MG8
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BU of 3mg8 by Molmil
Structure of yeast 20S open-gate proteasome with Compound 16
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(2,2-dimethylpropyl)-N~2~-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-pyridin-4-yl-L-alaninamide, ...
Authors:Sintchak, M.D.
Deposit date:2010-04-05
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
7TJI
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BU of 7tji by Molmil
S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 2) with flexible Orc6 N-terminal domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ...
Authors:Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F.
Deposit date:2022-01-16
Release date:2022-10-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
6OQU
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BU of 6oqu by Molmil
E. coli ATP synthase State 1d
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
7TJH
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BU of 7tjh by Molmil
S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with flexible Orc6 N-terminal domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ...
Authors:Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F.
Deposit date:2022-01-16
Release date:2022-10-05
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
6IVJ
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BU of 6ivj by Molmil
Crystal structure of a membrane protein G18A
Descriptor: ACETIC ACID, CHLORIDE ION, Ibestrophin, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
3MNN
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BU of 3mnn by Molmil
A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core
Descriptor: 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane, 1-methyl-4-(1-methylethyl)benzene, DNA (145-MER), ...
Authors:Ong, M.S, Davey, C.A.
Deposit date:2010-04-22
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Chemistry, 17, 2011
7A1O
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BU of 7a1o by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 4-ethyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
Descriptor: 4-ethyl-2-oxoglutarate, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1Q
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BU of 7a1q by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
Descriptor: 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1P
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BU of 7a1p by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 4-propyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
Descriptor: (4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1M
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BU of 7a1m by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-propyl-2-oxoglutarate
Descriptor: 3-propyl-2-oxoglutarate, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
3M1V
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BU of 3m1v by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-05
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
6OEM
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BU of 6oem by Molmil
Cryo-EM structure of mouse RAG1/2 PRC complex (DNA0)
Descriptor: DNA (46-MER), DNA (57-MER), High mobility group protein B1, ...
Authors:Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
Deposit date:2019-03-27
Release date:2020-01-29
Last modified:2020-02-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020

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數據於2024-10-16公開中

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