6BB5
 
 | | Human Oxy-Hemoglobin | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Gumpper, R.H, Terrell, J.R, Luo, M. | | Deposit date: | 2017-10-16 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Hemoglobin crystals immersed in liquid oxygen reveal diffusion channels.
Biochem. Biophys. Res. Commun., 495, 2018
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6B77
 | | Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ... | | Authors: | Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R. | | Deposit date: | 2017-10-03 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
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6B0R
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6BFP
 | | Bovine trypsin bound to potent inhibitor | | Descriptor: | 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid, CALCIUM ION, Cationic trypsin | | Authors: | Partridge, J.R, Choy, R.M. | | Deposit date: | 2017-10-26 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.292 Å) | | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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4NSG
 | | Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 1.5418A | | Descriptor: | ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | | Deposit date: | 2013-11-28 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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4NKH
 | | Crystal structure of SspH1 LRR domain | | Descriptor: | E3 ubiquitin-protein ligase sspH1 | | Authors: | Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F. | | Deposit date: | 2013-11-12 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase.
Mol.Cell.Biol., 34, 2014
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4NSJ
 | | Carboplatin binding to HEWL in 2M NH4formate, 0.1M HEPES at pH 7.5 | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | | Deposit date: | 2013-11-28 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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4NU5
 | | Crystal Structure of PTDH R301A | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphonate dehydrogenase | | Authors: | Nair, S.K, Chekan, J.R. | | Deposit date: | 2013-12-03 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Chemical rescue and inhibition studies to determine the role of arg301 in phosphite dehydrogenase.
Plos One, 9, 2014
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4NXJ
 | | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum | | Descriptor: | Bromodomain protein | | Authors: | Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-12-09 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED
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4O2Z
 | | Crystal Structure of MPK3 from Leishmania donovani, LdBPK_100540 in the presence of NVP-BBT594 | | Descriptor: | 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, Mitogen-activated protein kinase 3, putative | | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Hui, R, Mangos, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-12-17 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal Structure of MPK3 from Leishmania donovani, LdBPK_100540 in the presence of NVP-BBT594
To be Published
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4MYY
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6AYW
 | | The structure of human CamKII with bound inhibitor | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide | | Authors: | Somoza, J.R, Villasenor, A.G. | | Deposit date: | 2017-09-08 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The structure of human CamKII with bound inhibitor
To Be Published
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7SIE
 | | Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis | | Descriptor: | Accumulation associated protein, CALCIUM ION, CHLORIDE ION | | Authors: | Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R. | | Deposit date: | 2021-10-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
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4PLH
 | | Crystal structure of ancestral apicomplexan malate dehydrogenase with oxamate. | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, OXAMIC ACID, SODIUM ION, ... | | Authors: | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | Deposit date: | 2014-05-16 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
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6B74
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4NSI
 | | Carboplatin binding to HEWL in 20% propanol, 20% PEG 4000 at pH5.6 | | Descriptor: | CITRATE ANION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R. | | Deposit date: | 2013-11-28 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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6BCM
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6B2N
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4P16
 | | Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus | | Descriptor: | ORF1a, ZINC ION | | Authors: | Lei, J, Mesters, J.R, Ma, Q, Hilgenfeld, R. | | Deposit date: | 2014-02-25 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features.
Antiviral Res., 109C, 2014
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6BLN
 | | BTK complex with compound 13 | | Descriptor: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | | Deposit date: | 2017-11-10 | | Release date: | 2018-11-07 | | Last modified: | 2019-03-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 2019
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7RR9
 | | Cryo-EM Structure of Nanodisc reconstituted ABCD1 in nucleotide bound outward open conformation | | Descriptor: | ATP-binding cassette sub-family D member 1, CHOLESTEROL, MAGNESIUM ION, ... | | Authors: | Alam, A, Le, L.T.M, Thompson, J.R. | | Deposit date: | 2021-08-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures of the human peroxisomal fatty acid transporter ABCD1 in a lipid environment
Commun Biol, 5, 2022
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7RRA
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6D3S
 | | Thermostabilized phosphorylated chicken CFTR | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator | | Authors: | Fay, J.F, Riordan, J.R, Chen, Z.J. | | Deposit date: | 2018-04-16 | | Release date: | 2018-10-17 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.
Biochemistry, 57, 2018
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7RRO
 | | Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia | | Descriptor: | Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ... | | Authors: | Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A. | | Deposit date: | 2021-08-10 | | Release date: | 2021-10-27 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
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6CJO
 | | Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | | Descriptor: | Chalcone--flavonone isomerase 1, SULFATE ION | | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | | Deposit date: | 2018-02-26 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
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