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6F0Z
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BU of 6f0z by Molmil
GLIC mutant D88N
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-21
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6MWJ
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BU of 6mwj by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0863
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-29
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
6F11
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BU of 6f11 by Molmil
GLIC mutant D86A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-21
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F0V
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BU of 6f0v by Molmil
GLIC mutant E82Q
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-20
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
4JLT
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BU of 4jlt by Molmil
Crystal structure of P450 2B4(H226Y) in complex with paroxetine
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ...
Authors:Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
Deposit date:2013-03-13
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States.
J.Pharmacol.Exp.Ther., 346, 2013
6F0I
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BU of 6f0i by Molmil
GLIC mutant E26A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-20
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F0J
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BU of 6f0j by Molmil
GLIC mutant E26A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-20
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F13
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BU of 6f13 by Molmil
GLIC mutant E75A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-21
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
4A0B
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BU of 4a0b by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp CPD-duplex (pyrimidine at D-1 position) at 3.8 A resolution (CPD 4)
Descriptor: 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*DGP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*DGP)-3', DNA DAMAGE-BINDING PROTEIN 1, ...
Authors:Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H.
Deposit date:2011-09-08
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
4IPP
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BU of 4ipp by Molmil
tRNA-guanine-transglycosylase (TGT) mutant V262D APO-Structure
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2013-01-10
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Investigating the advantage of ligands with residual mobility in binding mutated TGT
To be Published
5UTA
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BU of 5uta by Molmil
Sperm whale myoglobin H64Q with nitrite
Descriptor: GLYCEROL, Myoglobin, NITRITE ION, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-02-14
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
4A08
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BU of 4a08 by Molmil
Structure of hsDDB1-drDDB2 bound to a 13 bp CPD-duplex (purine at D-1 position) at 3.0 A resolution (CPD 1)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*CP*GP*CP*GP*AP*(TTD)P*GP*CP*GP*CP*CP*C)-3', 5'-D(*TP*GP*GP*GP*CP*GP*CP*CP*CP*TP*CP*GP*CP*G)-3', ...
Authors:Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H.
Deposit date:2011-09-08
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation
Cell(Cambridge,Mass.), 147, 2011
3D5U
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BU of 3d5u by Molmil
Crystal structure of a wildtype Polo-like kinase 1 (Plk1) catalytic domain.
Descriptor: Polo-like kinase 1
Authors:Elling, R.A, Fucini, R.V, Romanowski, M.J.
Deposit date:2008-05-17
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008
1I8P
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BU of 1i8p by Molmil
STRUCTURE DETERMINATION OF THE FERROCYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS
Descriptor: CYTOCHROME C2, HEME C
Authors:Garau, G, Geremia, S.
Deposit date:2001-03-15
Release date:2001-04-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cleavage of the iron-methionine bond in c-type cytochromes: crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
5UTC
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BU of 5utc by Molmil
Deoxy form of sperm whale myoglobin V68A/I107Y
Descriptor: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-02-14
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
3D5W
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BU of 3d5w by Molmil
Crystal structure of a phosphorylated Polo-like kinase 1 (Plk1) catalytic domain in complex with ADP.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Polo-like kinase 1
Authors:Elling, R.A, Fucini, R.V, Romanowski, M.J.
Deposit date:2008-05-17
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008
6QF3
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BU of 6qf3 by Molmil
X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ...
Authors:Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
6ZL6
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BU of 6zl6 by Molmil
Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP and NAD
Descriptor: Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE
Authors:Iacovino, L.G, Mattevi, A.
Deposit date:2020-06-30
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
6MWF
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BU of 6mwf by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0459
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-29
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
6NMO
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BU of 6nmo by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4.
To be Published
3D5X
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BU of 3d5x by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with wortmannin.
Descriptor: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Polo-like kinase 1
Authors:Elling, R.A, Fucini, R.V, Romanowski, M.J.
Deposit date:2008-05-17
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008
4N2P
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BU of 4n2p by Molmil
Structure of Archease from Pyrococcus horikoshii
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
Deposit date:2013-10-05
Release date:2014-01-01
Last modified:2020-09-23
Method:X-RAY DIFFRACTION (1.435 Å)
Cite:A tRNA splicing operon: Archease endows RtcB with dual GTP/ATP cofactor specificity and accelerates RNA ligation.
Nucleic Acids Res., 42, 2014
8BZZ
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BU of 8bzz by Molmil
Crystal structure of carbonic anhydrase 2 4-(dimethylamino)-N-nitrobenzenesulfonamide
Descriptor: 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-12-15
Release date:2023-12-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Diversely N -substituted benzenesulfonamides dissimilarly bind to human carbonic anhydrases: crystallographic investigations of N -nitrosulfonamides.
J Enzyme Inhib Med Chem, 38, 2023
1PW2
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BU of 1pw2 by Molmil
APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2
Descriptor: Cell division protein kinase 2
Authors:Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D.
Deposit date:2003-06-30
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop.
Structure, 11, 2003
2OIU
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BU of 2oiu by Molmil
L1 Ribozyme Ligase circular adduct
Descriptor: L1 Ribozyme RNA Ligase, MAGNESIUM ION
Authors:Robertson, M.P, Scott, W.G.
Deposit date:2007-01-11
Release date:2007-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structural basis of ribozyme-catalyzed RNA assembly.
Science, 315, 2007

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数据于2024-10-09公开中

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