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3ETA
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BU of 3eta by Molmil
Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor
Descriptor: 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain
Authors:Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S.
Deposit date:2008-10-07
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
6XNS
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BU of 6xns by Molmil
C3_crown-05
Descriptor: C3_crown-05
Authors:Bick, M.J, Hsia, Y, Sankaran, B, Baker, D.
Deposit date:2020-07-04
Release date:2020-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6XSS
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BU of 6xss by Molmil
CryoEM structure of designed helical fusion protein C4_nat_HFuse-7900
Descriptor: C4_nat_HFuse-7900
Authors:Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G.
Deposit date:2020-07-16
Release date:2020-12-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6XT4
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BU of 6xt4 by Molmil
C3_HD-1069 (1BH-69) - fusion protein of helical bundle and repeat protein
Descriptor: 1BH_69
Authors:Bick, M.J, Hsia, Y, Sankaran, B, Baker, D.
Deposit date:2020-07-17
Release date:2020-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6GW5
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BU of 6gw5 by Molmil
X-ray structure of the Helicobacter pylori SabA adhesin domain
Descriptor: Putative Outer membrane protein
Authors:Coppens, F, Remaut, H.
Deposit date:2018-06-21
Release date:2018-07-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Hop-family Helicobacter outer membrane adhesins form a novel class of Type 5-like secretion proteins with an interrupted beta-barrel domain.
Mol. Microbiol., 110, 2018
7UR7
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BU of 7ur7 by Molmil
17_bp_sh3, a small beta-barrel de novo designed protein
Descriptor: 17_bp_sh3
Authors:Bera, A.K, Kim, D, Baker, D.
Deposit date:2022-04-21
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UR8
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BU of 7ur8 by Molmil
170_h_ob, a small beta-barrel de novo designed protein
Descriptor: 170_h_ob
Authors:Bera, A.K, Kim, D, Baker, D.
Deposit date:2022-04-21
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
6YCH
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BU of 6ych by Molmil
Crystal structure of GcoA T296A bound to guaiacol
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic O-demethylase, cytochrome P450 subunit, ...
Authors:Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, DuBois, J.L, Beckham, G.T, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCK
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BU of 6yck by Molmil
Crystal structure of GcoA T296A bound to p-vanillin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ...
Authors:Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCO
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BU of 6yco by Molmil
Crystal structure of GcoA F169S bound to o-vanillin
Descriptor: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
Authors:Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCP
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BU of 6ycp by Molmil
Crystal structure of GcoA F169V bound to o-vanillin
Descriptor: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
Authors:Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCJ
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BU of 6ycj by Molmil
Crystal structure of GcoA T296S bound to guaiacol
Descriptor: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
Authors:Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCM
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BU of 6ycm by Molmil
Crystal structure of GcoA T296S bound to p-vanillin
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
Authors:Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCT
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BU of 6yct by Molmil
Crystal structure of GcoA F169A_T296S bound to p-vanillin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ...
Authors:Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-19
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCN
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BU of 6ycn by Molmil
Crystal structure of GcoA F169A bound to o-vanillin
Descriptor: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
Authors:Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCI
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BU of 6yci by Molmil
Crystal structure of GcoA T296G bound to guaiacol
Descriptor: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
Authors:Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCL
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BU of 6ycl by Molmil
Crystal structure of GcoA T296G bound to p-vanillin
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
Authors:Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
Deposit date:2020-03-18
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
2UVK
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BU of 2uvk by Molmil
Structure of YjhT
Descriptor: YJHT
Authors:Muller, A, Severi, E, Wilson, K.S, Thomas, G.H.
Deposit date:2007-03-12
Release date:2007-12-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sialic Acid Mutarotation is Catalyzed by the Escherichia Coli Beta-Propeller Protein Yjht.
J.Biol.Chem., 283, 2008
5U3I
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BU of 5u3i by Molmil
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31
Descriptor: 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2016-12-02
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
5UFJ
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BU of 5ufj by Molmil
Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6
Descriptor: 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2017-01-04
Release date:2017-02-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
2CMP
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BU of 2cmp by Molmil
crystal structure of the DNA binding domain of G1P SMALL TERMINASE SUBUNIT from bacteriophage SF6
Descriptor: TERMINASE SMALL SUBUNIT
Authors:Benini, S, Chechik, M, Ortiz-Lombardia, M, Polier, S, Shevtsov, M.B, DeLuchi, D, Alonso, J.C, Antson, A.A.
Deposit date:2006-05-11
Release date:2007-05-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The 1.58 A Resolution Structure of the DNA-Binding Domain of Bacteriophage Sf6 Small Terminase Provides New Hints on DNA Binding
Acta Crystallogr.,Sect.F, 69, 2013
8S4J
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BU of 8s4j by Molmil
Structure, substrate selectivity determinants and membrane interactions of a Glutamate-specific TAXI TRAP binding protein from Vibrio cholerae.
Descriptor: GLUTAMIC ACID, SODIUM ION, TAXI family TRAP transporter solute-binding subunit
Authors:Mulligan, C, Daab, A, Davies, J.
Deposit date:2024-02-21
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and selectivity of a glutamate-specific TAXI TRAP binding protein from Vibrio cholerae.
J.Gen.Physiol., 156, 2024
5LP2
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BU of 5lp2 by Molmil
Adhesin domain of the type 1 HopQ of Helicobacter pylori strain G27
Descriptor: HopQ
Authors:Moonens, K, Kruse, T, Gerhard, M, Remaut, H.
Deposit date:2016-08-11
Release date:2016-10-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Helicobacter pylori adhesin HopQ engages in a virulence-enhancing interaction with human CEACAMs.
Nat Microbiol, 2, 2016
3ZRZ
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BU of 3zrz by Molmil
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of Streptococcus pyogenes SfbI-5
Descriptor: FIBRONECTIN, FIBRONECTIN-BINDING PROTEIN, GLYCEROL, ...
Authors:Norris, N.C, Bingham, R.J, Potts, J.R.
Deposit date:2011-06-21
Release date:2011-09-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Analysis of the Tandem Beta-Zipper Interaction of a Streptococcal Protein with Human Fibronectin.
J.Biol.Chem., 286, 2011
4WMV
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BU of 4wmv by Molmil
STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A
Descriptor: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Clifton, M.C, Moulin, A.
Deposit date:2014-10-09
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015

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