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6WJT
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BU of 6wjt by Molmil
2.0 Angstrom Resolution Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with S-Adenosyl-L-Homocysteine
Descriptor: 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
7BIW
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BU of 7biw by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187
Descriptor: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-13
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
8U8K
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BU of 8u8k by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
Descriptor: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
4RWQ
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BU of 4rwq by Molmil
Crystal structure of the apo-state of porcine OAS1
Descriptor: 2'-5'-oligoadenylate synthase 1
Authors:Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
7BJB
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BU of 7bjb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044
Descriptor: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-14
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BOC
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BU of 7boc by Molmil
Crystal structure of the PRMT5 TIM barrel domain in complex with RioK1 peptide
Descriptor: Protein arginine N-methyltransferase 5, peptide
Authors:Krzyzanowski, A, t Hart, P, Waldmann, H, Gasper, R.
Deposit date:2021-01-25
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Biochemical Investigation of the Interaction of pICln, RioK1 and COPR5 with the PRMT5-MEP50 Complex.
Chembiochem, 22, 2021
6CKN
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BU of 6ckn by Molmil
Crystal structure of an AF10 fragment
Descriptor: Protein AF-10, UNKNOWN ATOM OR ION
Authors:Qin, S, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-28
Release date:2018-03-21
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
6JPA
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BU of 6jpa by Molmil
Rabbit Cav1.1-Verapamil Complex
Descriptor: (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Zhao, Y, Huang, G, Wu, J, Yan, N.
Deposit date:2019-03-26
Release date:2019-06-12
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
7ZH4
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USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (focused refinement)
Descriptor: 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, Ubiquitin carboxyl-terminal hydrolase 1, Ubiquitin-60S ribosomal protein L40, ...
Authors:Rennie, M.L, Walden, H.
Deposit date:2022-04-05
Release date:2022-10-12
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Cryo-EM reveals a mechanism of USP1 inhibition through a cryptic binding site.
Sci Adv, 8, 2022
1BP7
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BU of 1bp7 by Molmil
GROUP I MOBILE INTRON ENDONUCLEASE I-CREI COMPLEXED WITH HOMING SITE DNA
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP* GP*C)-3'), DNA (5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP* CP*G)-3'), ...
Authors:Jurica, M.S, Monnat Junior, R.J, Stoddard, B.L.
Deposit date:1998-08-13
Release date:1999-01-06
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:DNA recognition and cleavage by the LAGLIDADG homing endonuclease I-CreI.
Mol.Cell, 2, 1998
5J1D
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BU of 5j1d by Molmil
X-ray crystal structure of Phosphate binding protein (PBP) from Stenotrophomonas maltophilia
Descriptor: GLYCEROL, PHOSPHATE ION, Phosphate binding protein
Authors:Hatti, K, Gulati, A, Narayanswamy, S, Murthy, M.R.N.
Deposit date:2016-03-29
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determination of crystal structures of proteins of unknown identity using a marathon molecular replacement procedure: structure of Stenotrophomonas maltophilia phosphate-binding protein.
Acta Crystallogr D Struct Biol, 72, 2016
5FQ4
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BU of 5fq4 by Molmil
Crystal structure of the lipoprotein BT2263 from Bacteroides thetaiotaomicron
Descriptor: CALCIUM ION, PUTATIVE 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:2015-12-04
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
6CQK
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BU of 6cqk by Molmil
Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae, Rim1 (Form1)
Descriptor: SsDNA-binding protein essential for mitochondrial genome maintenance
Authors:Singh, S.P, Kukshal, V, Bona, P.D, Lytle, A.K, Edwin, A, Galletto, R.
Deposit date:2018-03-15
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The mitochondrial single-stranded DNA binding protein from S. cerevisiae, Rim1, does not form stable homo-tetramers and binds DNA as a dimer of dimers.
Nucleic Acids Res., 46, 2018
1Y01
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BU of 1y01 by Molmil
Crystal structure of AHSP bound to Fe(II) alpha-hemoglobin
Descriptor: 6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL, Alpha-hemoglobin stabilizing protein, Hemoglobin alpha chain, ...
Authors:Feng, L, Gell, D.A, Zhou, S, Gu, L, Gow, A.J, Weiss, M.J, Mackay, J.P, Shi, Y.
Deposit date:2004-11-14
Release date:2004-12-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular mechanism of AHSP-mediated stabilization of alpha-hemoglobin.
Cell(Cambridge,Mass.), 119, 2004
8V24
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BU of 8v24 by Molmil
LapB cytoplasmic domain in complex with LpxC
Descriptor: ACETATE ION, Lipopolysaccharide assembly protein B, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mi, W, Shu, S.
Deposit date:2023-11-21
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Dual function of LapB (YciM) in regulating Escherichia coli lipopolysaccharide synthesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
7JQO
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BU of 7jqo by Molmil
Crystal structure of the R64D mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
Descriptor: CADMIUM ION, CHLORIDE ION, Kallikrein-4, ...
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2020-08-11
Release date:2021-07-21
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JQN
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BU of 7jqn by Molmil
Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
Descriptor: CADMIUM ION, CHLORIDE ION, Kallikrein-4, ...
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2020-08-11
Release date:2021-07-21
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JRX
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BU of 7jrx by Molmil
Crystal structure of the R64F mutant of Bauhinia Bauhinioides complexed with Bovine Chymotrypsin
Descriptor: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2020-08-13
Release date:2021-07-21
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
8U8L
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BU of 8u8l by Molmil
X-ray crystal structure of TEBP-2 MCD3 with ds DNA
Descriptor: CESIUM ION, DNA (5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*CP*TP*TP*AP*GP*GP*CP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*GP*CP*CP*TP*AP*AP*GP*CP*CP*TP*AP*AP*CP*A)-3'), ...
Authors:Nandakumar, J, Padmanaban, S.
Deposit date:2023-09-18
Release date:2024-04-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Caenorhabditis elegans telomere-binding proteins TEBP-1 and TEBP-2 adapt the Myb module to dimerize and bind telomeric DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
7JR2
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BU of 7jr2 by Molmil
Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin
Descriptor: Cationic trypsin, Kunitz-type inihibitor, SULFATE ION
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2020-08-11
Release date:2021-07-21
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JR1
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BU of 7jr1 by Molmil
Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin
Descriptor: Cationic trypsin, Kunitz-type inihibitor, SODIUM ION, ...
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2020-08-11
Release date:2021-07-21
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7VT0
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BU of 7vt0 by Molmil
Dimer structure of SORLA
Descriptor: Sortilin-related receptor
Authors:Xi, Z, Cang, W, Chuang, L.
Deposit date:2021-10-27
Release date:2022-11-02
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures reveal distinct apo conformations of sortilin-related receptor SORLA.
Biochem.Biophys.Res.Commun., 600, 2022
7JQK
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BU of 7jqk by Molmil
Crystal structure of the R64A mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
Descriptor: CADMIUM ION, CHLORIDE ION, Kallikrein-4, ...
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2020-08-11
Release date:2021-07-21
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JQV
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BU of 7jqv by Molmil
Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
Descriptor: CHLORIDE ION, Kallikrein 4 (Prostase, enamel matrix, ...
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2020-08-11
Release date:2021-07-21
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
5FQU
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BU of 5fqu by Molmil
Orthorhombic crystal structure of of PlpD (selenomethionine derivative)
Descriptor: AZIDE ION, PATATIN-LIKE PROTEIN, PLPD, ...
Authors:Vinicius da Mata Madeira, P, Zouhir, S, Basso, P, Neves, D, Laubier, A, Salacha, R, Bleves, S, Faudry, E, Contreras-Martel, C, Dessen, A.
Deposit date:2015-12-14
Release date:2016-04-06
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis of Lipid Targeting and Destruction by the Type V Secretion System of Pseudomonas Aeruginosa.
J.Mol.Biol., 428, 2016

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