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5ALG
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BU of 5alg by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AKJ
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BU of 5akj by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-03
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AB3
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BU of 5ab3 by Molmil
S.enterica HisA mutant D7N, D10G, dup13-15, Q24L, G102A
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SODIUM ION, [(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2015-07-31
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5A16
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BU of 5a16 by Molmil
Crystal structure of Fab4201 raised against Human Erythrocyte Anion Exchanger 1
Descriptor: FAB4201 HEAVY CHAIN
Authors:Arakawa, T, Kobayashi-Yugiri, T, Alguel, Y, Weyand, S, Iwanari, H, Hatae, H, Iwata, M, Abe, Y, Hino, T, Ikeda-Suno, C, Kuma, H, Kang, D, Murata, T, Hamakubo, T, Cameron, A, Kobayashi, T, Hamasaki, N, Iwata, S.
Deposit date:2015-04-28
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Anion Exchanger Domain of Human Erythrocyte Band 3
Science, 350, 2015
6TVL
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BU of 6tvl by Molmil
Hen Egg White Lysozyme in complex with a "half sandwich"-type Ru(II) coordination compound
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
Deposit date:2020-01-10
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K.
J.Biol.Inorg.Chem., 25, 2020
5A01
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BU of 5a01 by Molmil
O-GlcNAc transferase from Drososphila melanogaster
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, O-GLYCOSYLTRANSFERASE
Authors:Mariappa, D, Zheng, X, Schimpl, M, Raimi, O, Rafie, K, Ferenbach, A.T, Mueller, H.J, van Aalten, D.M.F.
Deposit date:2015-04-15
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Dual functionality of O-GlcNAc transferase is required for Drosophila development.
Open Biol, 5, 2015
6JQ0
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BU of 6jq0 by Molmil
CryoEM structure of Abo1 Walker B (E372Q) mutant hexamer - ATP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized AAA domain-containing protein C31G5.19, ...
Authors:Cho, C, Jang, J, Song, J.J.
Deposit date:2019-03-28
Release date:2019-12-25
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of nucleosome assembly by the Abo1 AAA+ ATPase histone chaperone.
Nat Commun, 10, 2019
6JPA
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BU of 6jpa by Molmil
Rabbit Cav1.1-Verapamil Complex
Descriptor: (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Zhao, Y, Huang, G, Wu, J, Yan, N.
Deposit date:2019-03-26
Release date:2019-06-12
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
6JRF
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BU of 6jrf by Molmil
Crystal structure of ZmMoc1-Holliday junction Complex in the presence of Calcium
Descriptor: CALCIUM ION, DNA (33-MER), Monokaryotic chloroplast 1, ...
Authors:Lin, Z, Lin, H, Zhang, D, Yuan, C.
Deposit date:2019-04-03
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Structural basis of sequence-specific Holliday junction cleavage by MOC1.
Nat.Chem.Biol., 15, 2019
6U8Q
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BU of 6u8q by Molmil
CryoEM structure of HIV-1 cleaved synaptic complex (CSC) intasome
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Li, M, Chen, X, Craigie, R.
Deposit date:2019-09-05
Release date:2020-02-05
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.67 Å)
Cite:A Peptide Derived from Lens Epithelium-Derived Growth Factor Stimulates HIV-1 DNA Integration and Facilitates Intasome Structural Studies.
J.Mol.Biol., 432, 2020
6K58
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BU of 6k58 by Molmil
Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine
Descriptor: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-05-28
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6TYG
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BU of 6tyg by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 9 nt long RNA primer
Descriptor: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Molodtsov, V, Ebright, R.H.
Deposit date:2019-08-08
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6JVC
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BU of 6jvc by Molmil
Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-04-16
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6U62
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BU of 6u62 by Molmil
Raptor-Rag-Ragulator complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rogala, K.B, Sabatini, D.M.
Deposit date:2019-08-29
Release date:2019-10-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis for the docking of mTORC1 on the lysosomal surface.
Science, 366, 2019
6JY0
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BU of 6jy0 by Molmil
CryoEM structure of S.typhimurium R-type straight flagellar filament made of FljB (A461V)
Descriptor: Flagellin
Authors:Yamaguchi, T, Toma, S, Terahara, N, Miyata, T, Minamino, T, Ashikara, M, Namba, K, Kato, T.
Deposit date:2019-04-25
Release date:2020-02-19
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural and Functional Comparison ofSalmonellaFlagellar Filaments Composed of FljB and FliC.
Biomolecules, 10, 2020
6U0K
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BU of 6u0k by Molmil
TTBK2 kinase domain in complex with Compound 1
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, GLYCEROL, PHOSPHATE ION, ...
Authors:Marcotte, D.J, Chodaparambil, J.V.
Deposit date:2019-08-14
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.744 Å)
Cite:The crystal structure of the catalytic domain of tau tubulin kinase 2 in complex with a small-molecule inhibitor
Acta Crystallogr.,Sect.F, 76, 2020
6UAG
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BU of 6uag by Molmil
Closed Dimer of Y77A Mutant Putative Ryanodine Receptor from Bacteroides thetaiotaomicron VPI-5482
Descriptor: GLYCEROL, Putative ryanodine receptor, SULFATE ION, ...
Authors:Wu, R, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2019-09-10
Release date:2020-08-05
Method:X-RAY DIFFRACTION (2.709 Å)
Cite:Closed Dimer of Y77A Mutant Putative Ryanodine Receptor from Bacteroides thetaiotaomicron VPI-5482
To Be Published
6U8Y
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BU of 6u8y by Molmil
Structure of the membrane-bound sulfane sulfur reductase (MBS), an archaeal respiratory membrane complex
Descriptor: DUF4040 domain-containing protein, IRON/SULFUR CLUSTER, Monovalent cation/H+ antiporter subunit B, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2019-09-06
Release date:2020-09-09
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the respiratory MBS complex reveals iron-sulfur cluster catalyzed sulfane sulfur reduction in ancient life.
Nat Commun, 11, 2020
6K4Y
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BU of 6k4y by Molmil
CryoEM structure of sigma appropriation complex
Descriptor: 10 kDa anti-sigma factor, DNA (60-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shi, J, Wen, A, Feng, Y.
Deposit date:2019-05-27
Release date:2019-08-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structural basis of sigma appropriation.
Nucleic Acids Res., 47, 2019
6JZT
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BU of 6jzt by Molmil
Structure of the bacterial flagellar hook from Salmonella typhimurium
Descriptor: Flagellar hook protein FlgE
Authors:Saijo-Hamano, Y, Matsunami, H, Namba, K, Imada, K.
Deposit date:2019-05-03
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Architecture of the Bacterial Flagellar Distal Rod and Hook ofSalmonella.
Biomolecules, 9, 2019
6U9H
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BU of 6u9h by Molmil
Arabidopsis thaliana acetohydroxyacid synthase complex
Descriptor: Acetolactate synthase small subunit 2, chloroplastic, Acetolactate synthase, ...
Authors:Guddat, L.W, Low, Y.S, Rao, Z.
Deposit date:2019-09-08
Release date:2020-07-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
6K9Q
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BU of 6k9q by Molmil
Structure of the native supercoiled hook as a universal joint
Descriptor: Flagellar hook protein FlgE
Authors:Kato, T, Miyata, T, Makino, F, Horvath, P, Namba, K.
Deposit date:2019-06-17
Release date:2020-02-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the native supercoiled flagellar hook as a universal joint.
Nat Commun, 10, 2019
6KEA
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BU of 6kea by Molmil
crystal structure of MBP-tagged REV7-IpaB complex
Descriptor: Maltose-binding periplasmic protein,LINKER,hREV7,LINKER,Invasin IpaB,hREV3
Authors:Wang, X, Pernicone, N, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W.
Deposit date:2019-07-04
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
6KDO
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BU of 6kdo by Molmil
HIV-1 reverse transcriptase with Q151M/Y115F/F116Y/M184V/F160M:DNA:lamivudine 5'-triphosphate ternary complex
Descriptor: DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2019-07-02
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.573 Å)
Cite:Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
6KHY
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BU of 6khy by Molmil
The crystal structure of AsfvAP:AG
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2019-07-16
Release date:2020-06-03
Method:X-RAY DIFFRACTION (3.008 Å)
Cite:A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020

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