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PDB: 622 results

5QP4
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BU of 5qp4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z450133538
Descriptor: 1,2-ETHANEDIOL, 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide, ACETATE ION, ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOM
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BU of 5qom by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000576a
Descriptor: 1,2-ETHANEDIOL, 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, ACETATE ION, ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOV
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BU of 5qov by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1699011516
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QPB
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BU of 5qpb by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000701a
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QP2
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BU of 5qp2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1170065264
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QP5
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BU of 5qp5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259681
Descriptor: 1,2-ETHANEDIOL, 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide, ACETATE ION, ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QP6
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BU of 5qp6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1662802141
Descriptor: 1,2-ETHANEDIOL, 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide, ACETATE ION, ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QP7
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BU of 5qp7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1230873739
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:PanDDA analysis group deposition
To Be Published
6OL0
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BU of 6ol0 by Molmil
Structure of VcINDY bound to Malate
Descriptor: (2S)-2-hydroxybutanedioic acid, SODIUM ION, Transporter, ...
Authors:Sauer, D.B, Marden, J.J, Wang, D.N.
Deposit date:2019-04-15
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.502 Å)
Cite:Elevator mechanism dynamics in a sodium-coupled dicarboxylate transporter
Biorxiv, 2022
6OKZ
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BU of 6okz by Molmil
Structure of VcINDY bound to Fumarate
Descriptor: FUMARIC ACID, SODIUM ION, Transporter, ...
Authors:Sauer, D.B, Marden, J, Wang, D.N.
Deposit date:2019-04-15
Release date:2020-10-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Elevator mechanism dynamics in a sodium-coupled dicarboxylate transporter
Biorxiv, 2022
6OL1
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BU of 6ol1 by Molmil
Structure of VcINDY in complex with Succinate
Descriptor: SODIUM ION, SUCCINIC ACID, Transporter, ...
Authors:Sauer, D.B, Marden, J.J, Wang, D.N.
Deposit date:2019-04-15
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.088 Å)
Cite:Elevator mechanism dynamics in a sodium-coupled dicarboxylate transporter
Biorxiv, 2022
3GW2
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BU of 3gw2 by Molmil
Crystal structure of possible transcriptional regulatory protein (fragment 1-100) from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR242E.
Descriptor: Possible transcriptional regulatory arsR-family protein
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-31
Release date:2009-04-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Northeast Structural Genomics Consortium Target MbR242E
To be published
4N6C
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BU of 4n6c by Molmil
Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium (NESG) Target SpR36.
Descriptor: BROMIDE ION, uncharacterized protein
Authors:Vorobiev, S, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-11
Release date:2013-10-30
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae.
To be Published
2GO8
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BU of 2go8 by Molmil
Crystal structure of YQJZ_BACSU FROM Bacillus subtilis. Northeast structural genomics TARGET SR435
Descriptor: Hypothetical protein yqjZ
Authors:Benach, J, Su, M, Jayaraman, S, Fang, Y, Xiao, R, Ma, L.-C, Cunningham, K, Wang, D, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-04-12
Release date:2006-04-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of YQJZ_BACSU from Bacillus subtilis. Northeast Structural Genomics TARGET SR435
To be Published
8H59
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BU of 8h59 by Molmil
A fungal MAP kinase in complex with an inhibitor
Descriptor: Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
Authors:Kong, Z, Zhang, X, Wang, D, Liu, J.
Deposit date:2022-10-12
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
6KMB
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BU of 6kmb by Molmil
Crystal structure of Sth1 bromodomain
Descriptor: GLYCEROL, Nuclear protein STH1/NPS1
Authors:Chen, G, Li, W, Yan, F, Wang, D, Chen, Y.
Deposit date:2019-07-31
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structural Basis for Specific Recognition of H3K14 Acetylation by Sth1 in the RSC Chromatin Remodeling Complex.
Structure, 28, 2020
8GN7
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BU of 8gn7 by Molmil
structure of human connexin 40.1 intercellular gap junction channel by cryoEM
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, Gap junction delta-4 protein, ...
Authors:Zhang, H, Wang, D.P.
Deposit date:2022-08-23
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:structure of human connexin 40.1 intercellular gap junction channel by cryoEM
To Be Published
8I3X
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BU of 8i3x by Molmil
Rice APIP6-RING homodimer
Descriptor: RING-type domain-containing protein, ZINC ION
Authors:Zheng, Y, Zhang, X, Liu, Y, Liu, J, Wang, D.
Deposit date:2023-01-18
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of rice APIP6 reveals a new dimerization mode of RING-type E3 ligases that facilities the construction of its working model
Phytopathol Res, 5, 2023
5HDG
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BU of 5hdg by Molmil
crystal structure of heat shock factor 1-DBD
Descriptor: Heat shock factor protein 1, SODIUM ION
Authors:Feng, H, Liu, W, Wang, D.C.
Deposit date:2016-01-05
Release date:2017-01-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:HSF1-DBD crystal structure
To Be Published
5QPC
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BU of 5qpc by Molmil
Crystal Structure of DCP2 (NUDT20) after initial refinement with no ligand modelled (structure $n)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
4TQJ
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BU of 4tqj by Molmil
Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection
Descriptor: Lectin 2
Authors:Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C.
Deposit date:2014-06-11
Release date:2015-06-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin.
Plos One, 10, 2015
4RL6
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BU of 4rl6 by Molmil
Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR105
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Saccharopine dehydrogenase
Authors:Vorobiev, S, Neely, H.M, Odukwe, C.D, Seetharaman, J, Mao, L, Xiao, R, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-10-15
Release date:2014-11-05
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae.
To be Published
4INA
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BU of 4ina by Molmil
Crystal Structure of the Q7MSS8_WOLSU protein from Wolinella succinogenes. Northeast Structural Genomics Consortium Target WsR35
Descriptor: saccharopine dehydrogenase
Authors:Vorobiev, S, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-01-04
Release date:2013-01-16
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:Crystal Structure of the Q7MSS8_WOLSU protein from Wolinella succinogenes.
To be Published
5YPL
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BU of 5ypl by Molmil
Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EP complex
Descriptor: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ...
Authors:Feng, H, Wang, D, Liu, W.
Deposit date:2017-11-02
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
4JVS
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BU of 4jvs by Molmil
Crystal structure of LepB GAP domain from Legionella drancourtii in complex with Rab1-GDP and AlF3
Descriptor: ACETIC ACID, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Yu, Q, Yao, Q, Wang, D.-C, Shao, F.
Deposit date:2013-03-26
Release date:2013-05-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.783 Å)
Cite:Structural analyses of Legionella LepB reveal a new GAP fold that catalytically mimics eukaryotic RasGAP
Cell Res., 23, 2013

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