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1EVW
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BU of 1evw by Molmil
L116A MUTANT OF THE HOMING ENDONUCLEASE I-PPOI COMPLEXED TO HOMING SITE DNA.
Descriptor: DNA (5'-D(*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*TP*AP*CP*CP*TP*TP*AP*A)-3'), DNA (5'-D(P*GP*AP*GP*AP*GP*TP*CP*A)-3'), ...
Authors:Galburt, E.A, Jurica, M.S, Chevalier, B.S, Erho, D, Stoddard, B.L.
Deposit date:2000-04-20
Release date:2000-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Conformational changes and cleavage by the homing endonuclease I-PpoI: a critical role for a leucine residue in the active site.
J.Mol.Biol., 300, 2000
6HQN
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BU of 6hqn by Molmil
Crystal structure of GcoA F169L bound to guaiacol
Descriptor: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2018-09-25
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
6X41
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BU of 6x41 by Molmil
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
Descriptor: CdtA, GLYCEROL
Authors:Pozharski, E.
Deposit date:2020-05-21
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile
To Be Published
6QW3
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BU of 6qw3 by Molmil
Calcium-bound gelsolin domain 2
Descriptor: CALCIUM ION, Gelsolin
Authors:Scalone, E, Boni, F, Milani, M, Mastrangelo, E, de Rosa, M.
Deposit date:2019-03-05
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High-resolution crystal structure of gelsolin domain 2 in complex with the physiological calcium ion.
Biochem.Biophys.Res.Commun., 518, 2019
6U1Q
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BU of 6u1q by Molmil
Crystal Structure of VpsO (VC0937) Kinase domain
Descriptor: O-PHOSPHOTYROSINE, VpsO
Authors:Tripathi, S.M, Schwechheimer, C, Herbert, K, Porcella, M.E, Brown, E.R, Yildiz, F.H, Rubin, S.M.
Deposit date:2019-08-16
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:A tyrosine phosphoregulatory system controls exopolysaccharide biosynthesis and biofilm formation in Vibrio cholerae.
Plos Pathog., 16, 2020
3M32
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BU of 3m32 by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-08
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
6HUE
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BU of 6hue by Molmil
ParkinS65N
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
Authors:McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K.
Deposit date:2018-10-07
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
Open Biology, 8, 2018
6QZ7
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BU of 6qz7 by Molmil
Structure of MBP-Mcl-1 in complex with compound 8b
Descriptor: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
Authors:Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
Deposit date:2019-03-11
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
8P7W
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BU of 8p7w by Molmil
Structure of 5D3-Fab and nanobody(Nb8)-bound ABCG2
Descriptor: 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ATP-binding cassette sub-family G member 2, ...
Authors:Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P.
Deposit date:2023-05-31
Release date:2023-08-30
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
5ZX5
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BU of 5zx5 by Molmil
3.3 angstrom structure of mouse TRPM7 with EDTA
Descriptor: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 7
Authors:Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E.
Deposit date:2018-05-18
Release date:2018-10-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6QWG
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BU of 6qwg by Molmil
Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
Authors:Ebrahim, A.E, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L.
Deposit date:2019-03-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
4KBS
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BU of 4kbs by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 phosphatidic acid (12:0 PA)
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Glycolipid transfer protein domain-containing protein 1
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-04-23
Release date:2013-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
7PQ7
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BU of 7pq7 by Molmil
Crystal structure of Campylobacter jejuni DsbA1
Descriptor: TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
Authors:Wilk, P, Orlikowska, M, Banas, A.M, Bocian-Ostrzycka, K.M, Jagusztyn-Krynicka, E.K.
Deposit date:2021-09-16
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis.
Int J Mol Sci, 22, 2021
6QXJ
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BU of 6qxj by Molmil
Structure of MBP-Mcl-1 in complex with compound 6a
Descriptor: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
Authors:Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
Deposit date:2019-03-07
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
1EW2
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BU of 1ew2 by Molmil
CRYSTAL STRUCTURE OF A HUMAN PHOSPHATASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, PHOSPHATASE, ...
Authors:Le Du, M.H, Stigbrand, T, Taussig, M.J, Menez, A, Stura, E.A.
Deposit date:2000-04-21
Release date:2001-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of alkaline phosphatase from human placenta at 1.8 A resolution. Implication for a substrate specificity.
J.Biol.Chem., 276, 2001
8P8J
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BU of 8p8j by Molmil
Structure of 5D3-Fab and nanobody(Nb96)-bound ABCG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
Authors:Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P.
Deposit date:2023-06-01
Release date:2023-08-30
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
1EYY
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BU of 1eyy by Molmil
CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI.
Descriptor: ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A.
Deposit date:2000-05-09
Release date:2000-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity.
Biochem.J., 349, 2000
8OQ6
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BU of 8oq6 by Molmil
CryoEM structure of human rho1 GABAA receptor apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ...
Authors:Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E.
Deposit date:2023-04-11
Release date:2023-08-30
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023
6HP9
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BU of 6hp9 by Molmil
Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor
Descriptor: (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide, Epithelial discoidin domain-containing receptor 1
Authors:Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
Deposit date:2018-09-19
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy.
J.Med.Chem., 62, 2019
8PC5
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BU of 8pc5 by Molmil
H3K36me3 nucleosome-LEDGF/p75 PWWP domain complex
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3, ...
Authors:Koutna, E, Kouba, T, Veverka, V.
Deposit date:2023-06-09
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
8PEO
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BU of 8peo by Molmil
H3K36me2 nucleosome-LEDGF/p75 PWWP domain complex
Descriptor: (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid, Histone H2A, Histone H2B 1.1, ...
Authors:Koutna, E, Kouba, T, Veverka, V.
Deposit date:2023-06-14
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
6HQL
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BU of 6hql by Molmil
Crystal structure of GcoA F169H bound to guaiacol
Descriptor: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2018-09-25
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
7PKI
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BU of 7pki by Molmil
Crystal structure of human ACE2 bound to the spike receptor-binding domain from a cave bat sarbecovirus closely related to SARS-CoV-2.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Baquero, E, Rey, F.A.
Deposit date:2021-08-25
Release date:2022-01-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.94234133 Å)
Cite:Bat coronaviruses related to SARS-CoV-2 and infectious for human cells.
Nature, 604, 2022
6HQT
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BU of 6hqt by Molmil
Crystal structure of GcoA F169V bound to syringol
Descriptor: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2018-09-25
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
8OQ7
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BU of 8oq7 by Molmil
CryoEM structure of human rho1 GABAA receptor in complex with inhibitor TPMPA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ...
Authors:Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E.
Deposit date:2023-04-11
Release date:2023-08-30
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Neuron, 111, 2023

223790

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