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5LQ7
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BU of 5lq7 by Molmil
Salmonella effector SpvD - G161 variant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A.
Deposit date:2016-08-16
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
3E3Z
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BU of 3e3z by Molmil
Crystal structure of bovine coupling Factor B bound with phenylarsine oxide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ...
Authors:Stroud, R.M, Lee, J.K, Belogrudov, G.I.
Deposit date:2008-08-08
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3E4G
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BU of 3e4g by Molmil
Crystal structure of bovine coupling Factor B, G28E mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ...
Authors:Stroud, R.M, Lee, J.K, Belogrudov, G.I.
Deposit date:2008-08-11
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6FRZ
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BU of 6frz by Molmil
Phosphotriesterase PTE_A53_7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-18
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Phosphotriesterase PTE_A53_7
To Be Published
7LQD
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BU of 7lqd by Molmil
Structure of Human MPS1 (TTK) covalently bound to RMS-07 inhibitor
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Dual specificity protein kinase TTK or monopolar spindle 1 kinase, GLYCEROL, ...
Authors:Santiago, A.S, dos Reis, C.V, Serafim, R.A.M, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2021-02-13
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor.
J.Med.Chem., 65, 2022
5LSW
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BU of 5lsw by Molmil
A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell differentiation protein RCD1 homolog, LD12033p, ...
Authors:Sgromo, A, Raisch, T, Bawankar, P, Bhandari, D, Chen, Y, Kuzuoglu-Ozturk, D, Weichenrieder, O, Izaurralde, E.
Deposit date:2016-09-05
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin.
Nat Commun, 8, 2017
6FU7
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BU of 6fu7 by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRATP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2018-02-26
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
3FQ1
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BU of 3fq1 by Molmil
Azurin C112D/M121I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Lancaster, K.M, Gray, H.B.
Deposit date:2009-01-06
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Type Zero Copper Proteins.
Nat Chem, 1, 2009
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
5MRQ
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BU of 5mrq by Molmil
Arabidopsis thaliana IspD Asp262Ala Mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
3FPY
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BU of 3fpy by Molmil
Azurin C112D/M121L
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Lancaster, K.M, Gray, H.B.
Deposit date:2009-01-06
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Type Zero Copper Proteins.
Nat Chem, 1, 2009
7VQ0
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BU of 7vq0 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike protein (2-up RBD) bound to neutralizing nanobodies P86
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A.
Deposit date:2021-10-18
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
5MJ7
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BU of 5mj7 by Molmil
Structure of the C. elegans nucleoside hydrolase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Uncharacterized protein
Authors:Versees, W, Singh, R.K.
Deposit date:2016-11-30
Release date:2017-03-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and biochemical characterization of the nucleoside hydrolase from C. elegans reveals the role of two active site cysteine residues in catalysis.
Protein Sci., 26, 2017
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
Authors:Wang, W.H, Jiang, T.
Deposit date:2008-07-07
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
3FQY
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BU of 3fqy by Molmil
Azurin C112D
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Lancaster, K.M, Gray, H.B.
Deposit date:2009-01-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Type Zero Copper Proteins.
Nat Chem, 1, 2009
3FWG
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BU of 3fwg by Molmil
Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ...
Authors:Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D.
Deposit date:2009-01-18
Release date:2009-03-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine.
Proc.Natl.Acad.Sci.USA, 106, 2009
5MRO
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BU of 5mro by Molmil
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
6ERZ
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BU of 6erz by Molmil
The crystal structure of mouse chloride intracellular channel protein 6
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chloride intracellular channel protein 6, SULFATE ION
Authors:Ferofontov, A, Giladi, M, Haitin, Y.
Deposit date:2017-10-19
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Inherent flexibility of CLIC6 revealed by crystallographic and solution studies.
Sci Rep, 8, 2018
3FZL
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BU of 3fzl by Molmil
Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, BAG family molecular chaperone regulator 1, ...
Authors:Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E.
Deposit date:2009-01-26
Release date:2009-03-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
3DZE
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BU of 3dze by Molmil
Crystal structure of bovine coupling Factor B bound with cadmium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ...
Authors:Lee, J.K, Stroud, R.M, Belogrudov, G.I.
Deposit date:2008-07-29
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6GVR
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BU of 6gvr by Molmil
TAILSPIKE PROTEIN MUTANT E372Q (DELTA N471/S472) OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH PENTASACCHARIDE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Roske, Y, Gohlke, U.
Deposit date:2018-06-21
Release date:2018-07-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
6GPU
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BU of 6gpu by Molmil
Crystal structure of miniSOG at 1.17A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, COBALT (II) ION, ...
Authors:Lafaye, C, Signor, L, Aumonier, S, Shu, X, Gotthard, G, Royant, A.
Deposit date:2018-06-07
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Tailing miniSOG: structural bases of the complex photophysics of a flavin-binding singlet oxygen photosensitizing protein.
Sci Rep, 9, 2019
3FVX
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BU of 3fvx by Molmil
Human kynurenine aminotransferase I in complex with tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kynurenine--oxoglutarate transaminase 1, SODIUM ION
Authors:Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
Deposit date:2009-01-16
Release date:2009-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K
J.Med.Chem., 52, 2009
4IRQ
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BU of 4irq by Molmil
Crystal structure of catalytic domain of human beta1,4galactosyltransferase 7 in closed conformation in complex with manganese and UDP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-galactosyltransferase 7, MANGANESE (II) ION, ...
Authors:Tsutsui, Y, Ramakrishnan, B, Qasba, P.K.
Deposit date:2013-01-15
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of beta-1,4-galactosyltransferase 7 enzyme reveal conformational changes and substrate binding.
J.Biol.Chem., 288, 2013
6GVP
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BU of 6gvp by Molmil
TAILSPIKE PROTEIN MUTANT E372Q (DELTA N471/S472) OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH HEXASACCHARIDE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Roske, Y, Gohlke, U.
Deposit date:2018-06-21
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018

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