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2KJB
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Solution structure of CzrA in the DNA bound state
Descriptor: CzrA protein
Authors:Arunkumar, A.I, Campanello, G.C, Giedroc, D.P.
Deposit date:2009-05-27
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a paradigm ArsR family zinc sensor in the DNA-bound state
Proc.Natl.Acad.Sci.USA, 106, 2009
2KGX
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HADDOCK structure of the talin F3 domain in complex with talin 1655-1822
Descriptor: MKIAA1027 protein, Talin-1
Authors:Goult, B.T, Gingras, A.R, Bate, N, Critchley, D.R, Barsukov, I.L.
Deposit date:2009-03-23
Release date:2009-03-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The structure of an interdomain complex that regulates talin activity.
J.Biol.Chem., 284, 2009
8QAQ
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Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. Conformation 1 of omphalotin A in apolar solvents.
Descriptor: TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR
Authors:Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
Deposit date:2023-08-23
Release date:2023-12-06
Last modified:2024-01-03
Method:SOLUTION NMR
Cite:Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
8QAS
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Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation.
Descriptor: TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR
Authors:Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
Deposit date:2023-08-23
Release date:2023-12-06
Last modified:2024-01-03
Method:SOLUTION NMR
Cite:Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
8QBP
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BU of 8qbp by Molmil
Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation.
Descriptor: TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR
Authors:Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D.
Deposit date:2023-08-25
Release date:2023-12-13
Last modified:2024-01-03
Method:SOLUTION NMR
Cite:Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability.
J.Am.Chem.Soc., 145, 2023
2L0W
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BU of 2l0w by Molmil
Solution NMR structure of the N-terminal PAS domain of HERG potassium channel
Descriptor: Potassium voltage-gated channel, subfamily H (Eag-related), member 2, ...
Authors:Ng, C.A, Hunter, M.J, Mobli, M, King, G.F, Kuchel, P.W, Vandenberg, J.I.
Deposit date:2010-07-19
Release date:2011-01-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The N-Terminal Tail of hERG Contains an Amphipathic alpha-Helix That Regulates Channel Deactivation
PLoS ONE, 6, 2011
6B4R
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BU of 6b4r by Molmil
The crystal structure of the aldehyde dehydrogenase KauB from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, GLYCEROL, ...
Authors:Gonzalez-Segura, L, Cardona-Cardona, Y, Carrillo-Campos, J, Munoz-Clares, R.A.
Deposit date:2017-09-27
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Aldehyde specificity of the aldehyde dehydrogenase KauB from Pseudomonas aeruginosa: Critical amino acid residues revealed by its crystal structure
To Be Published
5N53
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Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with N-(3-chloro-4-methoxyphenyl) acetamide
Descriptor: D-3-phosphoglycerate dehydrogenase, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-02-12
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
2MBG
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BU of 2mbg by Molmil
Rlip76 (gap-gbd)
Descriptor: RalA-binding protein 1
Authors:Rajasekar, K.V, Campbell, L.J, Nietlispach, D, Owen, D, Mott, H.R.
Deposit date:2013-07-30
Release date:2013-12-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Structure of the RLIP76 RhoGAP-Ral Binding Domain Dyad: Fixed Position of the Domains Leads to Dual Engagement of Small G Proteins at the Membrane.
Structure, 21, 2013
2JC5
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BU of 2jc5 by Molmil
Apurinic Apyrimidinic (AP) endonuclease (NApe) from Neisseria Meningitidis
Descriptor: 1,4-DIETHYLENE DIOXIDE, BICINE, EXODEOXYRIBONUCLEASE, ...
Authors:Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G.S, Freemont, P.
Deposit date:2006-12-19
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007
5NFF
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BU of 5nff by Molmil
Crystal structure of GP1 receptor binding domain from Morogoro virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
Authors:Israeli, H, Cohen-Dvashi, H, Shulman, A, Shimon, A, Diskin, R.
Deposit date:2017-03-14
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.615 Å)
Cite:Mapping of the Lassa virus LAMP1 binding site reveals unique determinants not shared by other old world arenaviruses.
PLoS Pathog., 13, 2017
2RJZ
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BU of 2rjz by Molmil
Crystal structure of the type 4 fimbrial biogenesis protein PilO from Pseudomonas aeruginosa
Descriptor: PilO protein, SULFATE ION
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-10-16
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Periplasmic domains of Pseudomonas aeruginosa PilN and PilO form a stable heterodimeric complex.
J.Mol.Biol., 394, 2009
2JC4
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BU of 2jc4 by Molmil
3'-5' exonuclease (NExo) from Neisseria Meningitidis
Descriptor: ACETATE ION, DIHYDROGENPHOSPHATE ION, EXODEOXYRIBONUCLEASE III, ...
Authors:Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G, Freemont, P.
Deposit date:2006-12-19
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007
6CPR
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BU of 6cpr by Molmil
Crystal structure of 4-1BBL/4-1BB complex in C2 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Aruna, B, Zajonc, D.M.
Deposit date:2018-03-14
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the human 4-1BB receptor bound to its ligand 4-1BBL reveal covalent receptor dimerization as a potential signaling amplifier.
J. Biol. Chem., 293, 2018
5NIH
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BU of 5nih by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with agonist LM-12b at 1.3 A resolution.
Descriptor: (3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Laulumaa, S, Frydenvang, K.A, Kastrup, J.S.
Deposit date:2017-03-24
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
2J94
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor: 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X
Authors:Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P.
Deposit date:2006-11-02
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
5NG9
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BU of 5ng9 by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with agonist CIP-AS at 1.15 A resolution.
Descriptor: (2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid, (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid, CITRATE ANION, ...
Authors:Laulumaa, S, Frydenvang, K.A, Winther, S, Kastrup, J.S.
Deposit date:2017-03-17
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
2J6B
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crystal structure of AFV3-109, a highly conserved protein from crenarchaeal viruses
Descriptor: AFV3-109
Authors:Keller, J, Leulliot, N, Cambillau, C, Campanacci, V, Porciero, S, Prangishvili, D, Cortez, D, Quevillon-Cheruel, S, Van Tilbeurgh, H.
Deposit date:2006-09-27
Release date:2007-02-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Afv3-109, a Highly Conserved Protein from Crenarchaeal Viruses.
Virol J., 4, 2007
8SMV
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BU of 8smv by Molmil
GPR161 Gs heterotrimer
Descriptor: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hoppe, N, Manglik, A, Harrison, S.
Deposit date:2023-04-26
Release date:2024-02-21
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway.
Biorxiv, 2023
2MUE
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BU of 2mue by Molmil
Structure Immunogenicity and Protectivity Relationship for the 1585 Malarial Peptide and Its Substitution Analogues
Descriptor: Merozoite surface protein 1
Authors:Espejo, F, Cubillos, M, Salazar, L, Guzman, F, Urquiza, M, Ocampo, M, Silva, Y, Rodriguez, R, Lioy, E, Patarroyo, M.
Deposit date:2014-09-08
Release date:2014-10-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, Immunogenicity, and Protectivity Relationship for the 1585 Malarial Peptide and Its Substitution Analogues.
Angew.Chem.Int.Ed.Engl., 40, 2001
2JGT
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BU of 2jgt by Molmil
Low resolution structure of SPT
Descriptor: SERINE PALMITOYLTRANSFERASE
Authors:Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J.
Deposit date:2007-02-14
Release date:2007-05-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
J.Mol.Biol., 370, 2007
2J6C
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BU of 2j6c by Molmil
crystal structure of AFV3-109, a highly conserved protein from crenarchaeal viruses
Descriptor: AFV3-109, GLYCEROL
Authors:Keller, J, Leulliot, N, Cambillau, C, Campanacci, V, Porciero, S, Prangishvili, D, Cortez, D, Quevillon-Cheruel, S, Van Tilbeurgh, H.
Deposit date:2006-09-27
Release date:2007-02-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Afv3-109, a Highly Conserved Protein from Crenarchaeal Viruses.
Virol J., 4, 2007
6K77
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BU of 6k77 by Molmil
Crystal structure of AMPPNP bound Ck1a alpha from C. neoformans
Descriptor: Casein kinase II subunit alpha, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Cho, H.S, Yoo, Y.
Deposit date:2019-06-06
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of AMPPNP bound Cka1 alpha from C. neoformans
To Be Published
2JCQ
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The hyaluronan binding domain of murine CD44 in a Type A complex with an HA 8-mer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD44 ANTIGEN, GLYCEROL
Authors:Banerji, S, Wright, A.J, Noble, M.E.M, Mahoney, D.J, Campbell, I.D, Day, A.J, Jackson, D.G.
Deposit date:2007-01-03
Release date:2007-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of the Cd44-Hyaluronan Complex Provide Insight Into a Fundamental Carbohydrate-Protein Interaction.
Nat.Struct.Mol.Biol., 14, 2008
6CIX
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BU of 6cix by Molmil
Lactam cyclised mimetic of a fragment of p21
Descriptor: p21
Authors:Wegener, K.L.
Deposit date:2018-02-25
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018

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