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7WGT
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BU of 7wgt by Molmil
X-ray structure of thermostabilized Drosophila dopamine transporter with GABA transporter1-like substitutions in the binding site, in complex with NO711.
Descriptor: 1-(2-{[(diphenylmethylidene)amino]oxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid, Antibody fragment (9D5) heavy chain, Antibody fragment (9D5) light chain, ...
Authors:Joseph, D, Penmatsa, A.
Deposit date:2021-12-28
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural insights into GABA transport inhibition using an engineered neurotransmitter transporter.
Embo J., 41, 2022
5O8Q
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BU of 5o8q by Molmil
Crystal structure of R. ruber ADH-A, mutant Y294F, W295A
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2017-06-14
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
6B6G
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BU of 6b6g by Molmil
Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction
Descriptor: (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D.
Deposit date:2017-10-02
Release date:2018-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction.
J. Am. Chem. Soc., 140, 2018
7QT6
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BU of 7qt6 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110
Descriptor: 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT5
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BU of 7qt5 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168
Descriptor: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT7
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BU of 7qt7 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7KUW
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BU of 7kuw by Molmil
High-throughput design and refinement of stable proteins using sequence-only models
Descriptor: Sequence-Based Designed Protein nmt_0994_guided_02
Authors:Bera, A.K, Stewart, L, Kang, A.S, Baker, D.
Deposit date:2020-11-25
Release date:2021-12-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Large-scale design and refinement of stable proteins using sequence-only models.
Plos One, 17, 2022
7WIM
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BU of 7wim by Molmil
Crystal structure of Arabidopsis thaliana FKBP43 N-terminal domain
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP43
Authors:Singh, A.K, Saharan, K, Baral, S, Vasudevan, D.
Deposit date:2022-01-03
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The plant nucleoplasmin AtFKBP43 needs its extended arms for histone interaction.
Biochim Biophys Acta Gene Regul Mech, 1865, 2022
7QVE
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BU of 7qve by Molmil
Spinach 20S proteasome
Descriptor: Proteasome subunit alpha type, Proteasome subunit alpha type-3, Proteasome subunit beta, ...
Authors:Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
Deposit date:2022-01-21
Release date:2022-05-25
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the plant 26S proteasome.
Plant Commun., 3, 2022
6BED
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BU of 6bed by Molmil
Crystal structure of VACV D13 in complex with Rifampicin
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, RIFAMPICIN, ...
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7QIJ
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BU of 7qij by Molmil
Complex of the Yersinia enterocolitica Type III secretion export gate YscV with substrate:chaperone complex YscX:YscY
Descriptor: Chaperone protein YscY, Low calcium response locus protein D, Yop proteins translocation protein X
Authors:Gilzer, D, Niemann, H.H.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Direct interaction of a chaperone-bound type III secretion substrate with the export gate.
Nat Commun, 13, 2022
7QII
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BU of 7qii by Molmil
Complex of the Yersinia enterocolitica Type III secretion proteins YscX and YscY
Descriptor: Chaperone protein YscY, Yop proteins translocation protein X
Authors:Gilzer, D, Schreiner, M, Niemann, H.H.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Direct interaction of a chaperone-bound type III secretion substrate with the export gate.
Nat Commun, 13, 2022
7QIH
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BU of 7qih by Molmil
Complex of the Yersinia enterocolitica Type III secretion proteins YscX and YscY
Descriptor: Chaperone protein YscY, Yop proteins translocation protein X
Authors:Gilzer, D, Niemann, H.H.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Direct interaction of a chaperone-bound type III secretion substrate with the export gate.
Nat Commun, 13, 2022
7QHR
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BU of 7qhr by Molmil
Unexpected imidazole coordination to dirhodium tetraacetate complex in a protein environment: insights from X-ray crystallography and quantum chemistry
Descriptor: Ribonuclease pancreatic, cis-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2021-12-13
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Inorg.Chem., 61, 2022
6AT9
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BU of 6at9 by Molmil
Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-A*0101
Descriptor: ALK, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G.
Deposit date:2017-08-28
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9503 Å)
Cite:A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations.
Front Immunol, 9, 2018
2J7F
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BU of 2j7f by Molmil
Beta-glucosidase from Thermotoga maritima in complex with carboxylate- substituted glucoimidazole
Descriptor: ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ...
Authors:Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J.
Deposit date:2006-10-07
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
6ARU
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BU of 6aru by Molmil
Structure of Cetuximab Fab mutant in complex with EGFR extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab mutant heavy chain Fab fragment,Immunoglobulin gamma-1 heavy chain, ...
Authors:Christie, M, Christ, D.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Cetuximab Fab mutant in complex with EGFR extracellular domain
To Be Published
7QWZ
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BU of 7qwz by Molmil
Full capsid of Saccharomyces cerevisiae virus L-BCLa
Descriptor: Major capsid protein
Authors:Grybchuk, D, Prochazkova, M, Fuzik, T, Konovalovas, A, Serva, S, Yurchenko, V, Plevka, P.
Deposit date:2022-01-26
Release date:2022-09-07
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly.
Commun Biol, 5, 2022
7QWX
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BU of 7qwx by Molmil
Empty capsid of Saccharomyces cerevisiae virus L-BCLa
Descriptor: Major capsid protein
Authors:Grybchuk, D, Prochazkova, M, Fuzik, T, Konovalovas, A, Serva, S, Yurchenko, V, Plevka, P.
Deposit date:2022-01-26
Release date:2022-09-07
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly.
Commun Biol, 5, 2022
6B3J
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BU of 6b3j by Molmil
3.3 angstrom phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex
Descriptor: Exendin-P5, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liang, Y.L, Khoshouei, M, Glukhova, A, Furness, S.G.B, Koole, C, Zhao, P, Clydesdale, L, Thal, D.M, Radjainia, M, Danev, R, Baumeister, W, Wang, M.W, Miller, L.J, Christopoulos, A, Sexton, P.M, Wootten, D.
Deposit date:2017-09-22
Release date:2018-02-21
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex.
Nature, 555, 2018
6AYG
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BU of 6ayg by Molmil
Human Apo-TRPML3 channel at pH 4.8
Descriptor: Mucolipin-3
Authors:Zhou, X, Li, M, Su, D, Jia, Q, Li, H, Li, X, Yang, J.
Deposit date:2017-09-08
Release date:2017-11-08
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.65 Å)
Cite:Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states.
Nat. Struct. Mol. Biol., 24, 2017
7Q6D
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BU of 7q6d by Molmil
E. coli FtsA 1-405 ATP 3 Ni
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division protein FtsA, MAGNESIUM ION, ...
Authors:Nierhaus, T, Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2021-11-06
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bacterial divisome protein FtsA forms curved antiparallel double filaments when binding to FtsN.
Nat Microbiol, 7, 2022
6BEC
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BU of 6bec by Molmil
Crystal structure of VACV D13 in complex with Rifabutin
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, RIFABUTIN, ...
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7Q6I
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BU of 7q6i by Molmil
Vibrio maritimus FtsA 1-396 ATP and FtsN 1-29, bent tetramers in double filament arrangement
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division protein FtsA, Cell division protein FtsN (polyAla model), ...
Authors:Nierhaus, T, Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2021-11-07
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Bacterial divisome protein FtsA forms curved antiparallel double filaments when binding to FtsN.
Nat Microbiol, 7, 2022
7Q6G
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BU of 7q6g by Molmil
Xenorhabdus poinarii FtsA 1-396 ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division protein FtsA, MAGNESIUM ION
Authors:Nierhaus, T, Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2021-11-07
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bacterial divisome protein FtsA forms curved antiparallel double filaments when binding to FtsN.
Nat Microbiol, 7, 2022

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PDB entries from 2024-08-21

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