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8PQK
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BU of 8pqk by Molmil
APO crystal structure of PDGFRA-T674I kinase domain
Descriptor: Platelet-derived growth factor receptor alpha
Authors:Teuber, A, Mueller, M.P, Rauh, D.
Deposit date:2023-07-11
Release date:2023-12-27
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
5FU4
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BU of 5fu4 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
Descriptor: CBM74-RFGH5, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
Authors:Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
Deposit date:2016-01-20
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
2P5G
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BU of 2p5g by Molmil
Crystal structure of RB69 gp43 in complex with DNA with dAMP opposite an abasic site analog in a 21mer template
Descriptor: DNA polymerase, Primer DNA, Template DNA
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-03-15
Release date:2007-10-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
5FC5
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Murine SMPDL3A in complex with phosphocholine
Descriptor: 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, Acid sphingomyelinase-like phosphodiesterase 3a, ...
Authors:Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-14
Release date:2016-01-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.678 Å)
Cite:Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
5FFM
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BU of 5ffm by Molmil
Yellow fever virus helicase
Descriptor: Serine protease NS3
Authors:Smith, J.L.
Deposit date:2015-12-18
Release date:2015-12-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Flavivirus helicase: implications for catalytic activity, protein interactions, and proteolytic processing.
J. Virol., 79, 2005
8PPJ
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BU of 8ppj by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
5FJJ
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BU of 5fjj by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
8PPG
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BU of 8ppg by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
5FKS
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BU of 5fks by Molmil
Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ...
Authors:Attia, M, Stepper, J, Davies, G.J, Brumer, H.
Deposit date:2015-10-19
Release date:2015-11-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation.
FEBS J., 283, 2016
8PPE
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BU of 8ppe by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate/ADP/Mn
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate, GLYCEROL, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPB
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BU of 8ppb by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-3-deoxy-myo-inositol 1,4,6-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-3-deoxy-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PVS
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BU of 8pvs by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: 1,2-ETHANEDIOL, Alpha-1,3-galactosidase B, CALCIUM ION, ...
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-18
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PP9
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BU of 8pp9 by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPC
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BU of 8ppc by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPD
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BU of 8ppd by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate, Inositol-trisphosphate 3-kinase A, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPA
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BU of 8ppa by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn
Descriptor: D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PP8
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BU of 8pp8 by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-scyllo-inositol 1,2,4-trisphosphate/AMP-PNP/Mn
Descriptor: Inositol-trisphosphate 3-kinase A, L-scyllo-inositol 1,2,4-trisphosphate, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
5FRA
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BU of 5fra by Molmil
CBM40_CPF0721-6'SL
Descriptor: ACETATE ION, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ...
Authors:Ribeiro, J.P, Pau, W, Pifferi, C, Renaudet, O, Varrot, A, Mahal, L.K, Imberty, A.
Deposit date:2015-12-16
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of a High-Affinity Sialic Acid-Specific Cbm40 from Clostridium Perfringens and Engineering of a Divalent Form.
Biochem.J., 473, 2016
8PPH
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BU of 8pph by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with alpha-D-glucopyranosyl 1,3,4-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PPI
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BU of 8ppi by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate/ATP/Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PN5
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BU of 8pn5 by Molmil
Crystal structure of the HC7-Glu200Ala mutant complexed to a triglycopeptide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-alpha-D-galactopyranose, DUF3472 domain-containing protein, ...
Authors:Taleb, V, Hurtado-Guerrero, R.
Deposit date:2023-06-29
Release date:2024-03-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A family of di-glutamate mucin-degrading enzymes that bridges glycan hydrolases and peptidases
Nat Catal, 2024
5FU2
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BU of 5fu2 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
Descriptor: CALCIUM ION, CBM74-RFGH5, SODIUM ION, ...
Authors:Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
Deposit date:2016-01-20
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
8PPF
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BU of 8ppf by Molmil
Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4-trisphosphate/AMP-PNP/Mg
Descriptor: Inositol-trisphosphate 3-kinase A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Marquez-Monino, M.A, Gonzalez, B.
Deposit date:2023-07-07
Release date:2024-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
8PXT
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BU of 8pxt by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PN3
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BU of 8pn3 by Molmil
Crystal structure of the HC7-Glu200Ala mutant complexed to a tetraglycopeptide.
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, DUF3472 domain-containing protein, GLYCEROL, ...
Authors:Taleb, V, Hurtado-Guerrero, R.
Deposit date:2023-06-29
Release date:2024-03-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A family of di-glutamate mucin-degrading enzymes that bridges glycan hydrolases and peptidases
Nat Catal, 2024

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