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6FH2
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BU of 6fh2 by Molmil
Protein arginine kinase McsB in the AMP-PN-bound state
Descriptor: 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, Protein-arginine kinase
Authors:Suskiewicz, M.J, Heuck, A, Vu, L.D, Clausen, T.
Deposit date:2018-01-12
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of McsB, a protein kinase for regulated arginine phosphorylation.
Nat.Chem.Biol., 15, 2019
4YZJ
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BU of 4yzj by Molmil
Crystal structure of selnomethionin-labeled indole prenyltransferase TleC
Descriptor: Tryptophan dimethylallyltransferase
Authors:Mori, T, Matsui, T, Morita, H, Abe, I.
Deposit date:2015-03-25
Release date:2016-03-16
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
7PXY
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BU of 7pxy by Molmil
Crystal structure of Arabidopsis thaliana 5-enol-pyruvyl-shikimate-3-phosphate synthase (EPSPS) in open conformation
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, chloroplastic, CHLORIDE ION, ...
Authors:Ruszkowski, M.
Deposit date:2021-10-08
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Deciphering the structure of Arabidopsis thaliana 5- enol -pyruvyl-shikimate-3-phosphate synthase: An essential step toward the discovery of novel inhibitors to supersede glyphosate.
Comput Struct Biotechnol J, 20, 2022
7Q3A
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BU of 7q3a by Molmil
Crystal structure of MAB_4324 a tandem repeat GNAT from Mycobacterium abscessus
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Blaise, M, Alsarraf, M.A.B.
Deposit date:2021-10-27
Release date:2022-05-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical, structural, and functional studies reveal that MAB_4324c from Mycobacterium abscessus is an active tandem repeat N-acetyltransferase.
Febs Lett., 596, 2022
6ZRZ
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BU of 6zrz by Molmil
Crystal structure of 5-dimethylallyl tryptophan synthase from Streptomyces coelicolor in complex with DMASPP and Trp
Descriptor: DMATS type aromatic prenyltransferase, S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate, TRYPTOPHAN
Authors:Ostertag, E, Broger, K, Stehle, T, Zocher, G.
Deposit date:2020-07-15
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases.
J.Mol.Biol., 433, 2020
5NJ4
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BU of 5nj4 by Molmil
From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Dods, R, Baath, P, Branden, G, Neutze, R.
Deposit date:2017-03-28
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
4YL7
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BU of 4yl7 by Molmil
Crystal structure of the indole prenyltransferase MpnD from Marinactinospora thermotolerans
Descriptor: Aromatic prenyltransferase
Authors:Mori, T, Morita, H, Abe, I.
Deposit date:2015-03-05
Release date:2016-03-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
6Z1J
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BU of 6z1j by Molmil
Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LSP co-crystallization with spheroidene
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, ...
Authors:Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Betzel, C, Selikhanov, G.K.
Deposit date:2020-05-13
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center.
Iucrj, 7, 2020
5LU4
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BU of 5lu4 by Molmil
C4-type pyruvate phosphate dikinase: conformational intermediate of central domain in the swiveling mechanism
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PYRUVIC ACID, ...
Authors:Minges, A, Hoeppner, A, Groth, G.
Deposit date:2016-09-08
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Trapped intermediate state of plant pyruvate phosphate dikinase indicates substeps in catalytic swiveling domain mechanism.
Protein Sci., 26, 2017
6ZI5
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BU of 6zi5 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (a) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
5LRM
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BU of 5lrm by Molmil
Structure of di-zinc MCR-1 in P41212 space group
Descriptor: GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
6DHP
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BU of 6dhp by Molmil
RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
4YZL
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BU of 4yzl by Molmil
Crystal structure of the indole prenyltransferase TleC complexed with indolactam V and DMSPP
Descriptor: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Tryptophan dimethylallyltransferase
Authors:Mori, T, Morita, H, Abe, I.
Deposit date:2015-03-25
Release date:2016-03-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
5LFK
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BU of 5lfk by Molmil
Crystal structure of CpxAHDC (hemiphosphorylated form)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Mechaly, A.E, Alzari, P.M.
Deposit date:2016-07-01
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.094 Å)
Cite:Structural Coupling between Autokinase and Phosphotransferase Reactions in a Bacterial Histidine Kinase.
Structure, 25, 2017
6DXD
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BU of 6dxd by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - C347S mutant
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
8QM1
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BU of 8qm1 by Molmil
wild type Pa.FabF in complex cerulenin
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-09-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8QER
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BU of 8qer by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carbonylamino)pentanoic acid
Descriptor: (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Yadrykhins'ky, V, Brenk, R, Georgiou, C.
Deposit date:2023-09-01
Release date:2024-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
6DX7
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BU of 6dx7 by Molmil
Crystal structure of chalcone synthase from Physcomitrella patens
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
4ZBG
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BU of 4zbg by Molmil
Crystal Structure of a GNAT family Acetyltransferase from Brucella melitensis in complex with Acetyl-CoA
Descriptor: ACETYL COENZYME *A, Acetyltransferase, GLYCEROL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of a GNAT family Acetyltransferase from Brucella melitensis in complex with Acetyl-CoA
to be published
6DD2
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BU of 6dd2 by Molmil
Crystal structure of Selaginella moellendorffii HCT
Descriptor: Probable hydroxycinnamoyl transferase
Authors:Levsh, O, Chiang, Y.C, Lam, C.K, Wang, Y, Weng, J.K.
Deposit date:2018-05-09
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9056 Å)
Cite:Structural and dynamic basis of substrate permissiveness in hydroxycinnamoyltransferase (HCT).
PLoS Comput. Biol., 14, 2018
5NOO
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BU of 5noo by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W.
Deposit date:2017-04-12
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
6ZMP
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BU of 6zmp by Molmil
Crystal structure of Chaetomium thermophilum Naa20 in complex with a bisubstrate analogue
Descriptor: CARBOXYMETHYL COENZYME *A, CMC-MET-ASP-GLU-LEU, N-terminal acetyltransferase-like protein
Authors:Layer, D, Kopp, J, Sinning, I.
Deposit date:2020-07-03
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural basis of Naa20 activity towards a canonical NatB substrate.
Commun Biol, 4, 2021
6DXE
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BU of 6dxe by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - M64I F170S G173A S213G Q217A T270V C347S mutant
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6ZS0
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BU of 6zs0 by Molmil
Crystal structure of 5-dimethylallyltryptophan synthase from Streptomyces coelicolor
Descriptor: DI(HYDROXYETHYL)ETHER, DMATS type aromatic prenyltransferase
Authors:Ostertag, E, Broger, K, Stehle, T, Zocher, G.
Deposit date:2020-07-15
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases.
J.Mol.Biol., 433, 2020
6ZI4
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BU of 6zi4 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (a) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021

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数据于2024-10-16公开中

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