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5R91
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BU of 5r91 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL057 in complex with MAP kinase p38-alpha
Descriptor: 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol, ACETATE ION, CHLORIDE ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
2M17
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BU of 2m17 by Molmil
ubiquitin-like domain-containing C-terminal domain phosphatase (UBLCP1)
Descriptor: Ubiquitin-like domain-containing CTD phosphatase 1
Authors:Lee, W, Yun, J.
Deposit date:2012-11-19
Release date:2013-06-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure and Rpn1 Interaction of the UBL Domain of Human RNA Polymerase II C-Terminal Domain Phosphatase.
Plos One, 8, 2013
4G29
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BU of 4g29 by Molmil
Structure of the Catalytic Domain of the Salmonella Virulence Factor SseI
Descriptor: Secreted effector protein sseI
Authors:Stebbins, C.E, Bhaskaran, S.S.
Deposit date:2012-07-11
Release date:2012-11-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the catalytic domain of the Salmonella virulence factor SseI.
Acta Crystallogr.,Sect.D, 68, 2012
4AL2
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BU of 4al2 by Molmil
peptide deformylase (Ni-form) with hydrosulfide
Descriptor: HYDROSULFURIC ACID, NICKEL (II) ION, PEPTIDE DEFORMYLASE
Authors:Palm, G.J, Hinrichs, W.
Deposit date:2012-02-29
Release date:2012-04-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Fret Enzyme-Based Probe for Monitoring Hydrogen Sulfide.
Inorg.Chem., 51, 2012
6DXP
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BU of 6dxp by Molmil
The crystal structure of an FMN-dependent NADH-azoreductase from Klebsiella pneumoniae
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Arcinas, A.J, Ghosh, A, Chamala, S, Bonanno, J.B, Kelly, L, Almo, S.C.
Deposit date:2018-06-29
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.478 Å)
Cite:The crystal structure of an FMN-dependent NADH-azoreductase from Klebsiella pneumoniae
To Be Published
4CHE
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BU of 4che by Molmil
Crystal structure of the putative cap-binding domain of the PB2 subunit of Thogoto virus polymerase
Descriptor: POLYMERASE BASIC PROTEIN 2
Authors:Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S.
Deposit date:2013-12-01
Release date:2014-02-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains.
Plos One, 9, 2014
4DX7
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BU of 4dx7 by Molmil
Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop
Descriptor: Acriflavine resistance protein B, DARPIN, DECANE, ...
Authors:Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M.
Deposit date:2012-02-27
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Proc.Natl.Acad.Sci.USA, 109, 2012
3G9W
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BU of 3g9w by Molmil
Crystal Structure of Talin2 F2-F3 in Complex with the Integrin Beta1D Cytoplasmic Tail
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Integrin beta-1D, ...
Authors:Anthis, N.J, Wegener, K.L, Ye, F, Kim, C, Lowe, E.D, Vakonakis, I, Bate, N, Critchley, D.R, Ginsberg, M.H, Campbell, I.D.
Deposit date:2009-02-15
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.165 Å)
Cite:The structure of an integrin/talin complex reveals the basis of inside-out signal transduction
Embo J., 28, 2009
7A24
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BU of 7a24 by Molmil
Assembly intermediate of the plant mitochondrial complex I
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 13kDa, 15kDa, ...
Authors:Soufari, H, Waltz, F, Hashem, Y.
Deposit date:2020-08-16
Release date:2020-10-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Specific features and assembly of the plant mitochondrial complex I revealed by cryo-EM.
Nat Commun, 11, 2020
2HPI
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BU of 2hpi by Molmil
Eubacterial and Eukaryotic Replicative DNA Polymerases are not Homologous: X-ray Structure of DNA Polymerase III
Descriptor: CHLORIDE ION, DNA polymerase III alpha subunit, MAGNESIUM ION, ...
Authors:Bailey, S, Wing, R.A, Steitz, T.A.
Deposit date:2006-07-17
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Structure of T. aquaticus DNA Polymerase III Is Distinct from Eukaryotic Replicative DNA Polymerases.
Cell(Cambridge,Mass.), 126, 2006
2HRK
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BU of 2hrk by Molmil
Structural basis of yeast aminoacyl-tRNA synthetase complex formation revealed by crystal structures of two binary sub-complexes
Descriptor: CHLORIDE ION, GU4 nucleic-binding protein 1, Glutamyl-tRNA synthetase, ...
Authors:Simader, H, Suck, D.
Deposit date:2006-07-20
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of yeast aminoacyl-tRNA synthetase complex formation revealed by crystal structures of two binary sub-complexes.
Nucleic Acids Res., 34, 2006
2NPB
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BU of 2npb by Molmil
NMR solution structure of mouse SelW
Descriptor: Selenoprotein W
Authors:Aachmann, F.L, Fomenko, D.E, Soragni, A, Gladyshev, V.N, Dikiy, A.
Deposit date:2006-10-27
Release date:2006-11-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of selenoprotein W and NMR analysis of its interaction with 14-3-3 proteins
J.Biol.Chem., 282, 2007
3AOA
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BU of 3aoa by Molmil
Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Descriptor: Acriflavine resistance protein B
Authors:Nakashima, R, Sakurai, K, Yamaguchi, A.
Deposit date:2010-09-23
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Nature, 480, 2011
2J4W
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BU of 2j4w by Molmil
Structure of a Plasmodium vivax apical membrane antigen 1-Fab F8.12.19 complex
Descriptor: APICAL MEMBRANE ANTIGEN 1, FAB FRAGMENT OF MONOCLONAL ANTIBODY F8.12.19
Authors:Igonet, S, Vulliez-Le Normand, B, Faure, G, Riottot, M.M, Kocken, C.H.M, Thomas, A.W, Bentley, G.A.
Deposit date:2006-09-07
Release date:2007-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cross-Reactivity Studies of an Anti-Plasmodium Vivax Apical Membrane Antigen 1 Monoclonal Antibody: Binding and Structural Characterisation.
J.Mol.Biol., 366, 2007
3AOB
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BU of 3aob by Molmil
Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Descriptor: Acriflavine resistance protein B, RIFAMPICIN
Authors:Nakashima, R, Sakurai, K, Yamaguchi, A.
Deposit date:2010-09-23
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Nature, 480, 2011
2YKH
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BU of 2ykh by Molmil
Sensor region of a sensor histidine kinase
Descriptor: PROBABLE SENSOR HISTIDINE KINASE PDTAS
Authors:Preu, J, Panjikar, S, Morth, P, Jaiswal, R, Karunakar, P, Tucker, P.A.
Deposit date:2011-05-27
Release date:2012-06-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The Sensor Region of the Ubiquitous Cytosolic Sensor Kinase, Pdtas, Contains Pas and Gaf Domain Sensing Modules.
J.Struct.Biol., 177, 2012
2FN1
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BU of 2fn1 by Molmil
Crystal structures of Yersinia enterocolitica salicylate synthase (Irp9) in complex with the reaction products salicylate and pyruvate
Descriptor: 2-HYDROXYBENZOIC ACID, MAGNESIUM ION, PYRUVIC ACID, ...
Authors:Kerbarh, O, Chirgadze, D.Y, Blundell, T.L, Abell, C.
Deposit date:2006-01-10
Release date:2006-02-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate.
J.Mol.Biol., 357, 2006
6Y11
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BU of 6y11 by Molmil
Respiratory complex I from Thermus thermophilus
Descriptor: DUF3197 domain-containing protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A.
Deposit date:2020-02-10
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.109 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
4FBL
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BU of 4fbl by Molmil
LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families
Descriptor: CHLORIDE ION, LipS lipolytic enzyme, SPERMIDINE
Authors:Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovacic, F, Streit, W.R, Structural Proteomics in Europe (SPINE)
Deposit date:2012-05-23
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases.
Plos One, 7, 2012
2J5L
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BU of 2j5l by Molmil
Structure of a Plasmodium falciparum apical membrane antigen 1-Fab F8. 12.19 complex
Descriptor: APICAL MEMBRANE ANTIGEN 1, FAB FRAGMENT OF MONOCLONAL ANTIBODY F8.12.19
Authors:Igonet, S, Vulliez-Le Normand, B, Faure, G, Riottot, M.M, Kocken, C.H.M, Thomas, A.W, Bentley, G.A.
Deposit date:2006-09-18
Release date:2007-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cross-Reactivity Studies of an Anti-Plasmodium Vivax Apical Membrane Antigen 1 Monoclonal Antibody: Binding and Structural Characterisation.
J.Mol.Biol., 366, 2007
4G2B
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BU of 4g2b by Molmil
Structure of the Catalytic Domain of the Salmonella Virulence Factor SseI
Descriptor: Secreted effector protein sseI
Authors:Stebbins, C.E, Bhaskaran, S.S.
Deposit date:2012-07-11
Release date:2012-11-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the catalytic domain of the Salmonella virulence factor SseI.
Acta Crystallogr.,Sect.D, 68, 2012
4K7Q
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BU of 4k7q by Molmil
Crystal Structure of AcrB Complexed with Linezolid at 3.5 Resolution
Descriptor: Acriflavine resistance protein B, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
Authors:Hung, L.W, Kim, H.B, Murakami, S, Gupta, G, Kim, C.Y, Terwilliger, T.C.
Deposit date:2013-04-17
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of AcrB complexed with linezolid at 3.5 Angstrom resolution.
J.Struct.Funct.Genom., 14, 2013
6C94
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BU of 6c94 by Molmil
Structure Of Cytochrome P450 4B1 (CYP4B1) Complexed with the Inhibitor HET0016
Descriptor: Cytochrome P450 4B1, N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hsu, M.-H, Johnson, E.F.
Deposit date:2018-01-25
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Noncovalent interactions dominate dynamic heme distortion in cytochrome P450 4B1.
J. Biol. Chem., 293, 2018
4DS8
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BU of 4ds8 by Molmil
Complex structure of abscisic acid receptor PYL3-(+)-ABA-HAB1 in the presence of Mn2+
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, GLYCEROL, ...
Authors:Zhang, X, Zhang, Q, Wang, G, Chen, Z.
Deposit date:2012-02-18
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3HZU
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BU of 3hzu by Molmil
Crystal structure of probable thiosulfate sulfurtransferase SSEA (rhodanese) from Mycobacterium tuberculosis
Descriptor: GLYCEROL, SULFATE ION, Thiosulfate sulfurtransferase sseA
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-24
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mycobacterium thermoresistibile as a source of thermostable orthologs of Mycobacterium tuberculosis proteins.
Protein Sci., 21, 2012

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