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PDB: 2308 results

5F1Z
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BU of 5f1z by Molmil
Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5FM2
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BU of 5fm2 by Molmil
Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment
Descriptor: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q.
Deposit date:2015-10-30
Release date:2016-12-28
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
7PGK
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BU of 7pgk by Molmil
HHIP-N, the N-terminal domain of the Hedgehog-Interacting Protein (HHIP), in complex with glycosaminoglycan mimic SOS
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Hedgehog-interacting protein
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2021-12-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
7PGN
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BU of 7pgn by Molmil
HHP-C in complex with glycosaminoglycan mimic SOS
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
7PGL
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BU of 7pgl by Molmil
HHIP-N, the N-terminal domain of the Hedgehog-Interacting Protein (HHIP), apo-form
Descriptor: Hedgehog-interacting protein
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
7PGM
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BU of 7pgm by Molmil
HHIP-C in complex with heparin
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-3)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hedgehog-interacting protein
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
5FJX
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BU of 5fjx by Molmil
Yeast delta-COP-I mu-homology domain complexed with Gcs1 WxxF peptide
Descriptor: ADP-RIBOSYLATION FACTOR GTPASE-ACTIVATING PROTEIN GCS1, COATOMER SUBUNIT DELTA
Authors:Suckling, R.J, Evans, P.R, Owen, D.J.
Deposit date:2015-10-13
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Basis for the Binding of Tryptophan-Based Motifs by Delta-Cop.
Proc.Natl.Acad.Sci.USA, 112, 2015
7PHU
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BU of 7phu by Molmil
PfRH5 bound to monoclonal antibody R5.015 and R5.016 Fab fragments
Descriptor: Monoclonal antibody R5.015 heavy chain, Monoclonal antibody R5.015 light chain, Monoclonal antibody R5.016 heavy chain, ...
Authors:Ragotte, R.J, Higgins, M.K.
Deposit date:2021-08-18
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Heterotypic interactions drive antibody synergy against a malaria vaccine candidate.
Nat Commun, 13, 2022
5F1V
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BU of 5f1v by Molmil
biomimetic design results in a potent allosteric inhibitor of dihydrodipicolinate synthase from Campylobacter jejuni
Descriptor: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
Authors:Conly, C.J.T, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2015-11-30
Release date:2016-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biomimetic Design Results in a Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase from Campylobacter jejuni.
J.Am.Chem.Soc., 138, 2016
7PI3
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BU of 7pi3 by Molmil
PfCyRPA bound to Fab fragments from monoclonal antibodies Cy.003, Cy.004 and Cy.007
Descriptor: CALCIUM ION, Cysteine-rich protective antigen, Monoclonal antibody Cy.003 heavy chain, ...
Authors:Ragotte, R.J, Higgins, M.K.
Deposit date:2021-08-19
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.269 Å)
Cite:Heterotypic interactions drive antibody synergy against a malaria vaccine candidate.
Nat Commun, 13, 2022
7PI7
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BU of 7pi7 by Molmil
PfCyRPA bound to monoclonal antibody Cy.002 Fab fragment
Descriptor: Cysteine-rich protective antigen, Monoclonal antibody Cy.002 heavy chain, Monoclonal antibody Cy.002 light chain
Authors:Ragotte, R.J, Higgins, M.K.
Deposit date:2021-08-19
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Heterotypic interactions drive antibody synergy against a malaria vaccine candidate.
Nat Commun, 13, 2022
7PHW
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BU of 7phw by Molmil
PfCyRPA bound to monoclonal antibody Cy.004 Fab fragment
Descriptor: CALCIUM ION, Cysteine-rich protective antigen, Monoclonal antibody Cy.004 heavy chain, ...
Authors:Ragotte, R.J, Higgins, M.K.
Deposit date:2021-08-18
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:Heterotypic interactions drive antibody synergy against a malaria vaccine candidate.
Nat Commun, 13, 2022
7PHV
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BU of 7phv by Molmil
PfCyRPA bound to monoclonal antibody Cy.007 Fab fragment
Descriptor: AMMONIUM ION, Cysteine-rich protective antigen, Monoclonal antibody Cy.007 heavy chain, ...
Authors:Ragotte, R.J, Higgins, M.K.
Deposit date:2021-08-18
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.091 Å)
Cite:Heterotypic interactions drive antibody synergy against a malaria vaccine candidate.
Nat Commun, 13, 2022
7PI2
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BU of 7pi2 by Molmil
PfCyRPA bound to monoclonal antibody Cy.003 Fab fragment
Descriptor: Cysteine-rich protective antigen, Monoclonal antibody Cy.003 heavy chain, Monoclonal antibody Cy.003 light chain
Authors:Ragotte, R.J, Higgins, M.K.
Deposit date:2021-08-19
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Heterotypic interactions drive antibody synergy against a malaria vaccine candidate.
Nat Commun, 13, 2022
5FM3
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BU of 5fm3 by Molmil
Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment
Descriptor: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q.
Deposit date:2015-10-30
Release date:2016-12-28
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
7PR2
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BU of 7pr2 by Molmil
Cocrystal of cytochrome c and sulfonato-thiacalix[4]arene
Descriptor: Cytochrome c iso-1, HEME C, sulfonato-thiacalix[4]arene
Authors:Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
7PR5
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BU of 7pr5 by Molmil
Cocrystal of an RSL-N23H and sulfonato-thiacalix[4]arene - zinc complex
Descriptor: Fucose-binding lectin protein, GLYCEROL, ZINC ION, ...
Authors:Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
7PR4
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BU of 7pr4 by Molmil
Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster
Descriptor: Cytochrome c iso-1, HEME C, PHOSPHATE ION, ...
Authors:Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
7PR3
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BU of 7pr3 by Molmil
Cocrystal Form I of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster
Descriptor: Cytochrome c iso-1, HEME C, PHOSPHATE ION, ...
Authors:Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
5FSR
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BU of 5fsr by Molmil
Crystal structure of penicillin binding protein 6B from Escherichia coli
Descriptor: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD
Authors:Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W.
Deposit date:2016-01-07
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli
Mbio, 7, 2016
5FJZ
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BU of 5fjz by Molmil
Yeast delta-COP-I mu-homology domain complexed with Dsl1 WxWxV peptide
Descriptor: COATOMER SUBUNIT DELTA, PROTEIN TRANSPORT PROTEIN DSL1
Authors:Suckling, R.J, Evans, P.R, Owen, D.J.
Deposit date:2015-10-14
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for the Binding of Tryptophan-Based Motifs by Delta-Cop.
Proc.Natl.Acad.Sci.USA, 112, 2015
7PPC
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BU of 7ppc by Molmil
Ternary signalling complex of BMP10 bound to ALK1 and BMPRII
Descriptor: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3
Authors:Guo, J, Yu, M, Read, R.J, Li, W.
Deposit date:2021-09-13
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PPA
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BU of 7ppa by Molmil
High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10
Descriptor: Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL
Authors:Guo, J, Yu, M, Read, R.J, Li, W.
Deposit date:2021-09-13
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
7PLN
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BU of 7pln by Molmil
Structure of the APCbeta domain of Plasmodium vivax perforin-like protein 1
Descriptor: Sporozoite micronemal protein essential for cell traversal, putative
Authors:Williams, S.I, Ni, T, Yu, X, Gilbert, R.J.C.
Deposit date:2021-08-31
Release date:2022-06-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural, Functional and Computational Studies of Membrane Recognition by Plasmodium Perforin-Like Proteins 1 and 2
J.Mol.Biol., 434, 2022
5FOL
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BU of 5fol by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA)
Descriptor: 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
Authors:Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
Deposit date:2015-11-24
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016

222415

数据于2024-07-10公开中

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