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5FQ8
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BU of 5fq8 by Molmil
Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-decanoyloxypropyl decanoate, BT_2262 (UNCHARACTERISED LIPOPROTEIN), ...
Authors:Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B.
Deposit date:2015-12-07
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
8P8S
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BU of 8p8s by Molmil
Recombinant Ym2 crystal structure
Descriptor: 1,2-ETHANEDIOL, Chitinase-like protein 4
Authors:Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, A, Savvides, S.N, Lambrecht, B.N.
Deposit date:2023-06-02
Release date:2024-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
5DX1
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BU of 5dx1 by Molmil
Crystal structure of CARM1, sinefungin, and PABP1 peptide (R455)
Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, PABP1 peptide, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-09-23
Release date:2015-11-25
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
7TPN
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BU of 7tpn by Molmil
Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (11 mM KSeCN)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ...
Authors:Buscagan, T.M, Kaiser, J.T, Rees, D.C.
Deposit date:2022-01-25
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
8VEM
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BU of 8vem by Molmil
IsPETase - ACCE mutant
Descriptor: Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2023-12-19
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
5V8K
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BU of 5v8k by Molmil
Homodimeric reaction center of H. modesticaldum
Descriptor: 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 4,4'-Diaponeurosporene, 8(1)-OH-Chlorophyll aF, ...
Authors:Gisriel, C, Sarrou, I, Ferlez, B, Golbeck, J, Redding, K.E, Fromme, R.
Deposit date:2017-03-22
Release date:2017-09-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a symmetric photosynthetic reaction center-photosystem.
Science, 357, 2017
8W72
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BU of 8w72 by Molmil
Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fang, C, Zhang, L, Zhu, Y, Zhang, C.
Deposit date:2023-08-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
To Be Published
8PW4
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BU of 8pw4 by Molmil
Protein p6 from bacteriophage phi29, C-terminal delta20 truncated version
Descriptor: Histone-like protein p6
Authors:Alcorlo Pages, M, Hermoso Dominguez, J.
Deposit date:2023-07-19
Release date:2024-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Flexible structural arrangement and DNA-binding properties of protein p6 from Bacillus subtillis phage phi 29.
Nucleic Acids Res., 52, 2024
8VRU
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BU of 8vru by Molmil
GII.4c apo norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID
Authors:Kher, G, Prewitt, A, Pancera, M, Hansman, G.
Deposit date:2024-01-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Advancement of norovirus therapies
To Be Published
7Q2K
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BU of 7q2k by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyrrolidinone
Descriptor: Cholinephosphate cytidylyltransferase, pyrrolidin-2-one
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2021-10-25
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7ZHB
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BU of 7zhb by Molmil
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 2)
Descriptor: 1,3-PROPANDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Roversi, P, Zitzmann, N, Bayo, Y, Le Cornu, J.D.
Deposit date:2022-04-06
Release date:2022-04-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein quality control checkpoint
To Be Published
7Q3W
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BU of 7q3w by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (R)-2-Aminobutanamide hydrochloride
Descriptor: (R)-2-Aminobutanamide, Cholinephosphate cytidylyltransferase, Guanidinium
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2021-10-28
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
5DT3
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BU of 5dt3 by Molmil
Aurora A Kinase in Complex with ATP in Space Group P6122
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-17
Release date:2016-07-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
7TPV
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BU of 7tpv by Molmil
Selenium-free nitrogenase Fe protein (Av2) from A. vinelandii (5mM KSeCN Soaked)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Buscagan, T.M, Kaiser, J.T, Rees, D.C.
Deposit date:2022-01-26
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
8VZP
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BU of 8vzp by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403
Descriptor: (1S,2R,4S)-N-(2-hydroxyethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
Authors:Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2024-02-12
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
7TPX
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BU of 7tpx by Molmil
Selenium-free nitrogenase Fe protein (Av2) from A. vinelandii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Buscagan, T.M, Kaiser, J.T, Rees, D.C.
Deposit date:2022-01-26
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
7TPY
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BU of 7tpy by Molmil
Selenium-free nitrogenase Fe protein (Av2) from A. vinelandii (nucleotide control)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Buscagan, T.M, Kaiser, J.T, Rees, D.C.
Deposit date:2022-01-26
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
8T0O
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BU of 8t0o by Molmil
Fab from mAb RB2AT_87
Descriptor: CHLORIDE ION, RB2AT_87 Fab Heavy chain, RB2AT_87 Fab Light chain
Authors:Kreutzer, A.G, Malonis, R.J, Lai, J.R, Nowick, J.S.
Deposit date:2023-06-01
Release date:2024-03-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Generation and Study of Antibodies against Two Triangular Trimers Derived from A beta.
Pept Sci (Hoboken), 116, 2024
6NK3
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BU of 6nk3 by Molmil
Crystal structure of murine Mxra8 ectodomain
Descriptor: Matrix remodeling-associated protein 8
Authors:Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-04
Release date:2019-05-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cryo-EM Structure of Chikungunya Virus in Complex with the Mxra8 Receptor.
Cell, 177, 2019
7ZGH
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BU of 7zgh by Molmil
Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, complex with myo-inositol hexakissulfate
Descriptor: D-MYO-INOSITOL-HEXASULPHATE, GLYCEROL, Multiple inositol-polyphosphate phosphatase
Authors:Acquistapace, I.M, Brearley, C.A, Hemmings, A.M.
Deposit date:2022-04-03
Release date:2022-05-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, complex with myo-inositol hexakissulfate
To Be Published
5DYZ
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BU of 5dyz by Molmil
Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 in complex with N-palmitoylglycine
Descriptor: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Di Nardo, G, Dell'Angelo, V, Gilardi, G.
Deposit date:2015-09-25
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.967 Å)
Cite:Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen.
Arch.Biochem.Biophys., 602, 2016
7ZGG
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BU of 7zgg by Molmil
Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, phosphate-bound
Descriptor: GLYCEROL, Multiple inositol-polyphosphate phosphatase, PHOSPHATE ION
Authors:Acquistapace, I.M, Brearley, C.A, Hemmings, A.M.
Deposit date:2022-04-03
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, apo-protein
To Be Published
8W0K
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BU of 8w0k by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with 1-hydroxyethane-1-sulfonate
Descriptor: (1R)-1-hydroxyethane-1-sulfonic acid, Bifunctional protein PutA fusion protein, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2024-02-13
Release date:2024-07-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
7TGJ
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BU of 7tgj by Molmil
Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway
Descriptor: Desferrioxamine synthetase DesD, GLYCEROL, SULFATE ION
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2022-01-07
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
8P8R
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BU of 8p8r by Molmil
Ex vivo Ym1 crystal structure
Descriptor: 1,2-ETHANEDIOL, Chitinase-like protein 3
Authors:Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N.
Deposit date:2023-06-02
Release date:2024-01-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024

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