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PDB: 45697 results

5A85
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one
Descriptor: (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
1OKW
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Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2
Descriptor: ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P.
Deposit date:2003-07-31
Release date:2003-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
6B0S
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Crystal structure of circumsporozoite protein aTSR domain in complex with 1710 antibody
Descriptor: 1710 antibody, heavy chain, light chain, ...
Authors:Scally, S.W, Murugan, R, Bosch, A, Triller, G, Wardemann, H, Julien, J.P.
Deposit date:2017-09-15
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rare PfCSP C-terminal antibodies induced by live sporozoite vaccination are ineffective against malaria infection.
J. Exp. Med., 215, 2018
6UUS
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BU of 6uus by Molmil
CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin peptide
Descriptor: ADM, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
Deposit date:2019-10-31
Release date:2020-04-01
Last modified:2020-04-29
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
4XEB
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The structure of P. funicolosum Cel7A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glucanase, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2014-12-23
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering enhanced cellobiohydrolase activity
Nat Commun, 9(1), 2018
6UVA
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CryoEM Structure of the active Adrenomedullin 2 receptor G protein complex with adrenomedullin 2 peptide
Descriptor: Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
Deposit date:2019-11-01
Release date:2020-04-01
Last modified:2020-04-29
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structure and Dynamics of Adrenomedullin Receptors AM1and AM2Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins.
Acs Pharmacol Transl Sci, 3, 2020
7Q1W
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Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
Deposit date:2021-10-21
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
346D
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BU of 346d by Molmil
STRUCTURAL PARAMETERS FROM SINGLE-CRYSTAL STRUCTURES FOR ACCURATE MODELS OF A-DNA
Descriptor: DNA (5'-D(*GP*(5CM)P*GP*(5CM)P*GP*(5CM)P*GP*C)-3')
Authors:Mooers, B.H.M, Eichman, B.F, Ho, P.S.
Deposit date:1997-08-26
Release date:1997-08-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Parameters from Single-Crystal Structures for Accurate Models of A-DNA
To be Published
5F88
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BU of 5f88 by Molmil
Cetuximab Fab in complex with L5Y meditope variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2015-12-09
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.481 Å)
Cite:Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
3IO9
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BU of 3io9 by Molmil
BimL12Y in complex with Mcl-1
Descriptor: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D.
Deposit date:2009-08-14
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
1SXZ
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BU of 1sxz by Molmil
Reduced bovine superoxide dismutase at pH 5.0 complexed with azide
Descriptor: AZIDE ION, CALCIUM ION, COPPER (II) ION, ...
Authors:Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S.
Deposit date:1998-09-22
Release date:1998-09-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site
J.Biol.Inorg.Chem., 3, 1998
1B35
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BU of 1b35 by Molmil
CRICKET PARALYSIS VIRUS (CRPV)
Descriptor: PROTEIN (CRICKET PARALYSIS VIRUS, VP1), VP2), ...
Authors:Tate, J.G, Liljas, L, Scotti, P.D, Christian, P.D, Lin, T.W, Johnson, J.E.
Deposit date:1998-12-17
Release date:1999-08-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of cricket paralysis virus: the first view of a new virus family.
Nat.Struct.Biol., 6, 1999
1DQS
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BU of 1dqs by Molmil
CRYSTAL STRUCTURE OF DEHYDROQUINATE SYNTHASE (DHQS) COMPLEXED WITH CARBAPHOSPHONATE, NAD+ AND ZN2+
Descriptor: CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (3-DEHYDROQUINATE SYNTHASE), ...
Authors:Carpenter, E.P, Hawkins, A.R, Frost, J.W, Brown, K.A.
Deposit date:1998-04-09
Release date:1999-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of dehydroquinate synthase reveals an active site capable of multistep catalysis.
Nature, 394, 1998
5IED
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BU of 5ied by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with castanospermine
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
Deposit date:2016-02-25
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
2JGA
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Crystal structure of human cytosolic 5'-nucleotidase III in complex with phosphate and magnesium
Descriptor: CYTOSOLIC 5'-NUCLEOTIDASE III, MAGNESIUM ION, PHOSPHATE ION
Authors:Wallden, K, Stenmark, P, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, M, Holmberg, B, Schiavone, L, Hogbom, M, Kotenyova, T, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Welin, M, Nordlund, P.
Deposit date:2007-02-09
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structure of Human Cytosolic 5'-Nucleotidase II: Insights Into Allosteric Regulation and Substrate Recognition.
J.Biol.Chem., 282, 2007
4XJW
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BU of 4xjw by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with DMSO as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
1B1U
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BU of 1b1u by Molmil
CRYSTAL STRUCTURE OF THE BIFUNCTIONAL INHIBITOR RAGI
Descriptor: PROTEIN (ALPHA-AMYLASE/TRYPSIN INHIBITOR RATI)
Authors:Gourinath, S, Srinivasan, A, Singh, T.P.
Deposit date:1998-11-23
Release date:1998-12-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the bifunctional inhibitor of trypsin and alpha-amylase from ragi seeds at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
7Q3D
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BU of 7q3d by Molmil
Structure of the human CPLANE complex
Descriptor: Protein fuzzy homolog, Protein inturned, WD repeat-containing and planar cell polarity effector protein fritz homolog
Authors:Langousis, G, Cavadini, S, Kempf, G, Matthias, P.
Deposit date:2021-10-27
Release date:2022-04-06
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structure of the ciliogenesis-associated CPLANE complex.
Sci Adv, 8, 2022
5G0F
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BU of 5g0f by Molmil
Crystal structure of Danio rerio HDAC6 ZnF-UBP domain
Descriptor: GLYCINE, HDAC6, NICKEL (II) ION, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
6F3A
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BU of 6f3a by Molmil
Cryo-EM structure of a single dynein tail domain bound to dynactin and BICD2N
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
Authors:Urnavicius, L, Lau, C.K, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P.
Deposit date:2017-11-28
Release date:2018-01-17
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Cryo-EM shows how dynactin recruits two dyneins for faster movement.
Nature, 554, 2018
3WCH
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BU of 3wch by Molmil
The complex structure of HsSQS wtih ligand BPH1237
Descriptor: Squalene synthase, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-27
Release date:2014-06-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3IX1
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Periplasmic N-formyl-4-amino-5-aminomethyl-2-methylpyrimidine binding protein from Bacillus halodurans
Descriptor: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide, N-formyl-4-amino-5-aminomethyl-2-methylpyrimidine binding protein
Authors:Bale, S, Rajashankar, K.R, Perry, K, Begley, T.P, Ealick, S.E.
Deposit date:2009-09-03
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:HMP Binding Protein ThiY and HMP-P Synthase THI5 Are Structural Homologues.
Biochemistry, 49, 2010
7JJU
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BU of 7jju by Molmil
Crystal structure of en exoribonuclease-resistant RNA (xrRNA) from Potato leafroll virus (PLRV)
Descriptor: CACODYLATE ION, Guanidinium, IRIDIUM HEXAMMINE ION, ...
Authors:Steckelberg, A.-L, Vicens, Q, Auffinger, P, Costantino, D.C, Nix, J.C, Kieft, J.S.
Deposit date:2020-07-27
Release date:2020-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:The crystal structure of a Polerovirus exoribonuclease-resistant RNA shows how diverse sequences are integrated into a conserved fold.
Rna, 26, 2020
7PQ0
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Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form B
Descriptor: Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I
Authors:Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W.
Deposit date:2021-09-15
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
4XBR
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In cellulo Crystal Structure of PAK4 in complex with Inka
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein FAM212A,Serine/threonine-protein kinase PAK 4
Authors:Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C.
Deposit date:2014-12-17
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1
Nat Commun, 6, 2015

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