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8I1H
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BU of 8i1h by Molmil
Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 9.7
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SODIUM ION
Authors:Nakamura, T, Yamagata, Y.
Deposit date:2023-01-13
Release date:2023-03-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition.
Febs Lett., 597, 2023
6Z6N
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BU of 6z6n by Molmil
Cryo-EM structure of human EBP1-80S ribosomes (focus on EBP1)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Wells, J.N, Buschauer, R, Mackens-Kiani, T, Best, K, Kratzat, H, Berninghausen, O, Becker, T, Cheng, J, Beckmann, R.
Deposit date:2020-05-28
Release date:2020-07-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and function of yeast Lso2 and human CCDC124 bound to hibernating ribosomes.
Plos Biol., 18, 2020
6KYL
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BU of 6kyl by Molmil
Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 in Complex with (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, Mitochondrial distribution and morphology protein 35, Protein UPS1, ...
Authors:Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F.
Deposit date:2019-09-19
Release date:2019-10-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Molecular mechanism of mitochondrial phosphatidate transfer by Ups1.
Commun Biol, 3, 2020
5M7I
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BU of 5m7i by Molmil
Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannobiose
Descriptor: alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, exo-alpha-1,6-mannosidase
Authors:Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J.
Deposit date:2016-10-27
Release date:2016-11-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases.
J. Am. Chem. Soc., 139, 2017
7YWK
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BU of 7ywk by Molmil
Crystal structure of an engineered TycA variant, TycApPLA, in complex with AMP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D.
Deposit date:2022-02-14
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids.
J.Am.Chem.Soc., 144, 2022
5YFZ
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BU of 5yfz by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and S-GS626
Descriptor: 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
Deposit date:2017-09-22
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold
ChemMedChem, 13, 2018
4A5M
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BU of 4a5m by Molmil
Redox regulator HypR in its oxidized form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR YYBR
Authors:Palm, G.J, Waack, P, Read, R.J, Hinrichs, W.
Deposit date:2011-10-26
Release date:2012-01-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights Into the Redox-Switch Mechanism of the Marr/Duf24-Type Regulator Hypr
Nucleic Acids Res., 40, 2012
4POQ
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BU of 4poq by Molmil
Structure of unliganded VP1 pentamer of Human Polyomavirus 9
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, ISOPROPYL ALCOHOL, ...
Authors:Khan, Z.M, Stehle, T.
Deposit date:2014-02-26
Release date:2014-04-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and glycan microarray analysis of human polyomavirus 9 VP1 identifies N-glycolyl neuraminic acid as a receptor candidate.
J.Virol., 88, 2014
9MMI
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BU of 9mmi by Molmil
Myo-inositol-1(or 4)-monophosphatase that can perform essential dephosphorylation step to facilitate riboflavin biosynthesis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, MAGNESIUM ION, ...
Authors:Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L.
Deposit date:2024-12-20
Release date:2025-04-09
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of the phosphatase essential for riboflavin biosynthesis in Aquifex aeolicus.
J.Biol.Chem., 301, 2025
5E96
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BU of 5e96 by Molmil
Crystal structure of aminoglycoside 6'-acetyltransferase type Ii
Descriptor: 1,2-ETHANEDIOL, Aminoglycoside 6'-acetyltransferase, PHOSPHATE ION
Authors:Berghuis, A.M, Burk, D.L, Baettig, O.M, Shi, K.
Deposit date:2015-10-14
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comprehensive characterization of ligand-induced plasticity changes in a dimeric enzyme.
Febs J., 283, 2016
7GAU
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BU of 7gau by Molmil
PanDDA analysis group deposition of ground-state model of MAP1LC3B
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B
Authors:Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-08-11
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
1MB1
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BU of 1mb1 by Molmil
MBP1 FROM SACCHAROMYCES CEREVISIAE
Descriptor: MLU1-BOX BINDING PROTEIN
Authors:Taylor, I.A, Smerdon, S.J.
Deposit date:1997-07-23
Release date:1998-07-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The X-ray structure of the DNA-binding domain from the Saccharomyces cerevisiae cell-cycle transcription factor Mbp1 at 2.1 A resolution.
J.Mol.Biol., 272, 1997
7LMT
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BU of 7lmt by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
Descriptor: Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
Authors:Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-02-05
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
To Be Published
6Q2Y
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BU of 6q2y by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
5DMP
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BU of 5dmp by Molmil
Structure of the Archaeal NHEJ Phosphoesterase from Methanocella paludicola.
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein, ...
Authors:Brissett, N.C, Bartlett, E.J, Doherty, A.J.
Deposit date:2015-09-09
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:Molecular basis for DNA strand displacement by NHEJ repair polymerases.
Nucleic Acids Res., 44, 2016
5JBS
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BU of 5jbs by Molmil
Conformational changes during monomer-to-dimer transition of Brucella suis VirB8
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Arya, T, Sharifahmadian, M, Sygusch, J, Baron, B.
Deposit date:2016-04-13
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:NMR analyses, X-ray crystallography and small-molecule probing reveal conformational shifts during monomer-to-dimer transition of Brucella suis VirB8
To Be Published
3F9M
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BU of 3f9m by Molmil
Human pancreatic glucokinase in complex with glucose and activator showing a mobile flap
Descriptor: 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, Glucokinase, alpha-D-glucopyranose
Authors:Petit, P, Gluais, L, Lagarde, A, Vuillard, L, Boutin, J.A, Ferry, G.
Deposit date:2008-11-14
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The active conformation of human glucokinase is not altered by allosteric activators
Acta Crystallogr.,Sect.D, 67, 2011
6ZP7
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BU of 6zp7 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up open conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Martinez, M, Marabini, R, Carazo, J.M.
Deposit date:2020-07-08
Release date:2020-07-29
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
3FA3
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BU of 3fa3 by Molmil
Crystal structure of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member, trigonal crystal form
Descriptor: 2,2-difluoro-3,3-dihydroxybutanedioic acid, 2,3-dimethylmalate lyase, GLYCEROL, ...
Authors:Narayanan, B.C, Herzberg, O.
Deposit date:2008-11-14
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and function of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member.
J.Mol.Biol., 386, 2009
5FXM
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BU of 5fxm by Molmil
Structure of FAE solved by SAD from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer
Descriptor: CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y
Authors:Bowler, M.W, Nurizzo, D.
Deposit date:2016-03-02
Release date:2016-03-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Robodiff: Combining a Sample Changer and Goniometer for Highly Automated Macromolecular Crystallography Experiments.
Acta Crystallogr.,Sect.D, 72, 2016
6ZP5
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BU of 6zp5 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up closed conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Martinez, M, Marabini, R, Carazo, J.M.
Deposit date:2020-07-08
Release date:2020-07-29
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
3IZX
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BU of 3izx by Molmil
3.1 Angstrom cryoEM structure of cytoplasmic polyhedrosis virus
Descriptor: Capsid protein VP1, Structural protein VP3, Viral structural protein 5
Authors:Yu, X, Ge, P, Jiang, J, Atanasov, I, Zhou, Z.H.
Deposit date:2011-01-15
Release date:2011-06-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Atomic Model of CPV Reveals the Mechanism Used by This Single-Shelled Virus to Economically Carry Out Functions Conserved in Multishelled Reoviruses.
Structure, 19, 2011
8HUM
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BU of 8hum by Molmil
X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma
Authors:Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
Deposit date:2022-12-24
Release date:2023-08-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
5FMJ
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BU of 5fmj by Molmil
Bcl-xL with mouse Bak BH3 Q75L complex
Descriptor: 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J.
Deposit date:2015-11-06
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
6B1V
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BU of 6b1v by Molmil
Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-09-19
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018

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