7LMV
 
 | | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | | Descriptor: | Integrin inhibitor | | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | Deposit date: | 2021-02-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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4XGK
 | | Crystal structure of UDP-galactopyranose mutase from Corynebacterium diphtheriae in complex with 2-[4-(4-chlorophenyl)-7-(2-thienyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-yl]acetic | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ... | | Authors: | Wangkanont, K, Heroux, A, Forest, K.T, Kiessling, L.L. | | Deposit date: | 2014-12-31 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents.
Acs Chem.Biol., 10, 2015
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4XLQ
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7A1R
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6ZOO
 | | Photosystem I reduced Plastocyanin Complex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | | Authors: | Nelson, N, Caspy, I, Shkolnisky, Y. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-16 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Structure of plant photosystem I-plastocyanin complex reveals strong hydrophobic interactions.
Biochem.J., 478, 2021
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5MAT
 | | Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor | | Descriptor: | (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, HEXAETHYLENE GLYCOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Moniot, S, Steegborn, C. | | Deposit date: | 2016-11-04 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.069 Å) | | Cite: | Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
J. Med. Chem., 60, 2017
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6ZQO
 | | EYFP mutant - F165G | | Descriptor: | G protein/GFP fusion protein, SULFATE ION | | Authors: | Pletnev, V.Z, Pletnev, S.V, Pletneva, N.V. | | Deposit date: | 2020-07-10 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Amino acid residue at the 165th position tunes EYFP chromophore maturation. A structure-based design.
Comput Struct Biotechnol J, 19, 2021
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6ZXS
 | | Cold grown Pea Photosystem I | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Caspy, I, Borovikova-Sheinker, A, Subramanyam, R, Nelson, N. | | Deposit date: | 2020-07-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of cold grown pea Photosystem I
To Be Published
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7A4P
 | | Structure of small high-light grown Chlorella ohadii photosystem I | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ... | | Authors: | Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E. | | Deposit date: | 2020-08-20 | | Release date: | 2021-07-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
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6ZZY
 | | Structure of high-light grown Chlorella ohadii photosystem I | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ... | | Authors: | Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E. | | Deposit date: | 2020-08-05 | | Release date: | 2021-07-28 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
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7A1I
 | | Crystal structure of the BILBO2/FPC4 complex | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BILBO1_N domain-containing protein, ... | | Authors: | Dong, G. | | Deposit date: | 2020-08-13 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural and functional studies of the first tripartite protein complex at the Trypanosoma brucei flagellar pocket collar.
Plos Pathog., 17, 2021
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6ZZX
 | | Structure of low-light grown Chlorella ohadii Photosystem I | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ... | | Authors: | Caspy, I, Nelson, N, Nechushtai, R, Neumann, E, Shkolnisky, Y. | | Deposit date: | 2020-08-05 | | Release date: | 2021-07-28 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
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7A3W
 | | Structure of Imine Reductase from Pseudomonas sp. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NAD(P)-dependent oxidoreductase, ... | | Authors: | Cuetos, A, Thorpe, T, Turner, N.J, Grogan, G. | | Deposit date: | 2020-08-18 | | Release date: | 2021-08-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Multifunctional biocatalyst for conjugate reduction and reductive amination.
Nature, 604, 2022
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8WMV
 | | The structure of PSI-14CAC complex at stationary growth phase | | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhang, S.M, Si, L, Li, M. | | Deposit date: | 2023-10-04 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
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6AOW
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4XLP
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6M7J
 | | Mycobacterium tuberculosis RNAP with RbpA/us fork and Corallopyronin | | Descriptor: | DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | | Deposit date: | 2018-08-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
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7AK0
 | | Human MALT1(329-729) in complex with a chromane urea containing inhibitor | | Descriptor: | 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Renatus, M. | | Deposit date: | 2020-09-29 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.316 Å) | | Cite: | Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing.
J.Med.Chem., 63, 2020
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8WAG
 | | Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1 | | Descriptor: | Protein CHUP1, chloroplastic | | Authors: | Shimada, A, Nakamura, Y, Takano, A, Kohda, D. | | Deposit date: | 2023-09-07 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
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8WAF
 | | Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1 | | Descriptor: | Protein CHUP1, chloroplastic | | Authors: | Shimada, A, Takano, A, Nakamura, Y, Kohda, D. | | Deposit date: | 2023-09-07 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
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8VRM
 | | Crystal structure of the Pcryo_0619 N-acetyltransferase from Psychrobacter cryohalolentis K5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Acetyltransferase, ... | | Authors: | Dunsirn, M.M, Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-22 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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8VR7
 | | crystal structure of the Pcryo_0619 N-acetyltransferase from Psychrobacter cryohalolentis K5 int he presence of acetyl coenzyme A | | Descriptor: | 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ... | | Authors: | Dunsirn, M.M, Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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8VR6
 | | crystal structure of the Pcryo_0619 N-acetryltransferase from Psychrobacter cryohalolentis K5 in the presence of CoA-disulfide | | Descriptor: | Acetyltransferase, putative, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | Authors: | Dunsirn, M.M, Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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8VR2
 | | Crystal structure of the Pcryo_0617 oxidoreductase/decarboxylase from Psychrobacter cryohalolentis K5 in the presence of NAD and UDP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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8VR5
 | | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate | | Descriptor: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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