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6DTT
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BU of 6dtt by Molmil
Apo T. maritima MalE2
Descriptor: maltose-binding protein MalE2
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
8DHD
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BU of 8dhd by Molmil
Neutron crystal structure of maltotetraose bound tmMBP
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2
Authors:Cuneo, M.J, Shukla, S, Myles, D.A.
Deposit date:2022-06-27
Release date:2022-10-12
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Mapping periplasmic binding protein oligosaccharide recognition with neutron crystallography.
Sci Rep, 12, 2022
6DTS
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BU of 6dts by Molmil
Maltotetraose bound T. maritima MalE2
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
6DTR
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BU of 6dtr by Molmil
Apo T. maritima MalE3
Descriptor: SULFATE ION, maltose-binding protein MalE3
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
6DTU
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BU of 6dtu by Molmil
Maltotetraose bound T. maritima MalE1
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE1
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
6DTQ
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BU of 6dtq by Molmil
Maltose bound T. maritima MalE3
Descriptor: MAGNESIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE3
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
5VNQ
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BU of 5vnq by Molmil
Neutron crystallographic structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature
Descriptor: CHLORIDE ION, Endolysin
Authors:Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
Deposit date:2017-05-01
Release date:2017-07-26
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
5VNR
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BU of 5vnr by Molmil
X-ray structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ...
Authors:Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
Deposit date:2017-05-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
6SGP
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BU of 6sgp by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu
Descriptor: (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Shukla, S, Motlova, L.
Deposit date:2019-08-05
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
7ND1
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BU of 7nd1 by Molmil
First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain
Descriptor: 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ...
Authors:Cierpicki, T, Lund, G, Jaremko, L.
Deposit date:2021-01-29
Release date:2021-06-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
6WI7
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BU of 6wi7 by Molmil
RING1B-BMI1 fusion in closed conformation
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2020-04-08
Release date:2021-04-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
6WI8
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BU of 6wi8 by Molmil
Inhibitor compound-induced confrontational change in Ring1b-Bmi1 domain structure
Descriptor: E3 ubiquitin-protein ligase RING2,Polycomb complex protein BMI-1 chimera, ZINC ION
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2020-04-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.092 Å)
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
4W9Y
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BU of 4w9y by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a glutamyl sulfamide inhibitor CJC47
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Pavlicek, J, Barinka, C.
Deposit date:2014-08-28
Release date:2015-09-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
3MH9
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BU of 3mh9 by Molmil
Crystal structure of LprG mutant V91W from Mycobacterium tuberculosis
Descriptor: Lipoprotein lprG
Authors:Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-07
Release date:2010-09-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2.
Nat.Struct.Mol.Biol., 17, 2010
3MH8
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BU of 3mh8 by Molmil
Crystal structure of LprG from Mycobacterium tuberculosis
Descriptor: Lipoprotein lprG
Authors:Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-07
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2.
Nat.Struct.Mol.Biol., 17, 2010
3MHA
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BU of 3mha by Molmil
Crystal structure of LprG from Mycobacterium tuberculosis bound to PIM
Descriptor: (1S,2R,3R,4S,5R,6S)-2-(alpha-L-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-O-[(1R)-1-hydroxyhexadecyl]-beta-L-gulopyranosyl}oxy)cyclohexyl (2R)-2-{[(1S)-1-hydroxyhexadecyl]oxy}-3-{[(1S,10S)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (R)-phosphate, Lipoprotein lprG
Authors:Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-07
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2.
Nat.Struct.Mol.Biol., 17, 2010
6W08
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BU of 6w08 by Molmil
Crystal Structure of Motility Associated Killing Factor E from Vibrio cholerae
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kim, Y, Jedrzejczak, R, Joachimiak, G, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-29
Release date:2020-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
6W1W
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BU of 6w1w by Molmil
Crystal Structure of Motility Associated Killing Factor B from Vibrio cholerae
Descriptor: 1,2-ETHANEDIOL, motility-associated killing factor MakB
Authors:Kim, Y, Welk, L, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-04
Release date:2020-03-25
Last modified:2022-07-13
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
6SKH
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BU of 6skh by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp
Descriptor: (2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Motlova, L, Novakova, Z, Barinka, C.
Deposit date:2019-08-15
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
6DFP
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BU of 6dfp by Molmil
Crystal Structure of a Tripartite Toxin Component VCA0883 from Vibrio cholerae
Descriptor: VCA0883
Authors:Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-05-15
Release date:2018-05-23
Last modified:2022-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
5DB2
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BU of 5db2 by Molmil
Menin in complex with MI-389
Descriptor: 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DB1
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BU of 5db1 by Molmil
Menin in complex with MI-336
Descriptor: 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DB0
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BU of 5db0 by Molmil
Menin in complex with MI-352
Descriptor: 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DB3
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BU of 5db3 by Molmil
Menin in complex with MI-574
Descriptor: 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5JUE
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BU of 5jue by Molmil
Crystal Structure of UIC2 Fab
Descriptor: GLYCEROL, heavy chain of UIC2 Fab, light chain of UIC2 Fab
Authors:Xia, D, Esser, L.
Deposit date:2016-05-10
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the antigen-binding fragment of a monoclonal antibody specific for the multidrug-resistance-linked ABC transporter human P-glycoprotein.
Acta Crystallogr.,Sect.F, 72, 2016

 

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