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6F2N
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BU of 6f2n by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197
Descriptor: (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EUM
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BU of 6eum by Molmil
CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307
Descriptor: (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
Deposit date:2017-10-30
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EW3
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BU of 6ew3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EWE
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BU of 6ewe by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308
Descriptor: (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6UX8
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BU of 6ux8 by Molmil
Structure of monobody 33 MLKL N-terminal domain complex
Descriptor: Mixed lineage kinase domain-like protein, Monobody, ZINC ION
Authors:Birkinshaw, R.W, Petrie, E.J, Murphy, J.M.
Deposit date:2019-11-07
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of MLKL membrane translocation as a checkpoint in necroptotic cell death using Monobodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VBZ
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BU of 6vbz by Molmil
Crystal structure of the rat MLKL pseudokinase domain
Descriptor: MANGANESE (II) ION, Mixed lineage kinase domain-like pseudokinase
Authors:Davies, K.A, Czabotar, P.E.
Deposit date:2019-12-19
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
6VC0
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BU of 6vc0 by Molmil
Crystal structure of the horse MLKL pseudokinase domain
Descriptor: GLYCEROL, Mixed lineage kinase domain like pseudokinase
Authors:Davies, K.A, Czabotar, P.E.
Deposit date:2019-12-19
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.746 Å)
Cite:Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
3RIP
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BU of 3rip by Molmil
Crystal Structure of human gamma-tubulin complex protein 4 (GCP4)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCEROL, Gamma-tubulin complex component 4
Authors:Gregory-Pauron, L, Guillet, V, Mourey, L.
Deposit date:2011-04-14
Release date:2011-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of gamma-tubulin complex protein GCP4 provides insight into microtubule nucleation.
Nat.Struct.Mol.Biol., 18, 2011
7MON
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BU of 7mon by Molmil
Structure of human RIPK3-MLKL complex
Descriptor: Mixed lineage kinase domain-like protein, N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M.
Deposit date:2021-05-03
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
7MX3
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BU of 7mx3 by Molmil
Crystal structure of human RIPK3 complexed with GSK'843
Descriptor: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3
Authors:Davies, K.A, Czabotar, P.E.
Deposit date:2021-05-18
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
6MKF
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BU of 6mkf by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the imipenem-bound form
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKA
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BU of 6mka by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the open conformation
Descriptor: SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKG
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BU of 6mkg by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the benzylpenicilin-bound form
Descriptor: OPEN FORM - PENICILLIN G, SULFATE ION, penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Lee, C, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
4XB4
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BU of 4xb4 by Molmil
Structure of the N-terminal domain of OCP binding canthaxanthin
Descriptor: Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione
Authors:Kerfeld, C.A, Sutter, M, Leverenz, R.L.
Deposit date:2014-12-16
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:PHOTOSYNTHESIS. A 12 angstrom carotenoid translocation in a photoswitch associated with cyanobacterial photoprotection.
Science, 348, 2015
4XB5
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BU of 4xb5 by Molmil
Structure of orange carotenoid protein binding canthaxanthin
Descriptor: GLYCEROL, Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione
Authors:Kerfeld, C.A, Sutter, M, Leverenz, R.L.
Deposit date:2014-12-16
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PHOTOSYNTHESIS. A 12 angstrom carotenoid translocation in a photoswitch associated with cyanobacterial photoprotection.
Science, 348, 2015
6O5Z
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BU of 6o5z by Molmil
Crystal Structure of the human MLKL pseudokinase domain bound to compound 2
Descriptor: 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein
Authors:Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E.
Deposit date:2019-03-04
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway.
Acs Chem.Biol., 15, 2020
6MKH
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BU of 6mkh by Molmil
Crystal structure of pencillin binding protein 4 (PBP4) from Enterococcus faecalis in the imipenem-bound form
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, PHOSPHATE ION, pencillin binding protein 4 (PBP4)
Authors:D'Andrea, E.D, Moon, T.M, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKI
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BU of 6mki by Molmil
Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the ceftaroline-bound form
Descriptor: Ceftaroline, bound form, GLYCEROL, ...
Authors:D'Andrea, E.D, Moon, T.M, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6MKJ
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BU of 6mkj by Molmil
Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the closed conformation
Descriptor: penicillin binding protein 5 (PBP5)
Authors:Moon, T.M, Soares, A, D'Andrea, E.D, Jaconcic, J, Peti, W, Page, R.
Deposit date:2018-09-25
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.864 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
5HGR
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BU of 5hgr by Molmil
Structure of Anabaena (Nostoc) sp. PCC 7120 Orange Carotenoid Protein binding canthaxanthin
Descriptor: Orange Carotenoid Protein (OCP), beta,beta-carotene-4,4'-dione
Authors:Sutter, M, Leverenz, R.L, Kerfeld, C.A.
Deposit date:2016-01-08
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.681 Å)
Cite:Different Functions of the Paralogs to the N-Terminal Domain of the Orange Carotenoid Protein in the Cyanobacterium Anabaena sp. PCC 7120.
Plant Physiol., 171, 2016
6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
Descriptor: cystine knot (fluoropropylated)
Authors:Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
Deposit date:2018-02-09
Release date:2019-08-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1 Å)
Cite:Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
6SUY
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BU of 6suy by Molmil
Yeast cytochrome c in complex with an octa-anionic calix[4]arene
Descriptor: Cytochrome c iso-1, HEME C, SODIUM ION, ...
Authors:Alex, J.M, Crowley, P.B.
Deposit date:2019-09-17
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Probing the determinants of porosity in protein frameworks: co-crystals of cytochrome c and an octa-anionic calix[4]arene.
Org.Biomol.Chem., 18, 2020
6SUV
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BU of 6suv by Molmil
Horse cytochrome c complexed by octa-anionic calixarene
Descriptor: ACETYL GROUP, Cytochrome c, HEME C, ...
Authors:Geremia, S, Brancatelli, G.
Deposit date:2019-09-16
Release date:2020-07-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Probing the determinants of porosity in protein frameworks: co-crystals of cytochrome c and an octa-anionic calix[4]arene
Org.Biomol.Chem., 18, 2020
6BSQ
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BU of 6bsq by Molmil
Enterococcus faecalis Penicillin Binding Protein 4 (PBP4)
Descriptor: CHLORIDE ION, GLYCEROL, PBP4 protein
Authors:Moon, T.M, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2017-12-04
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
6BSR
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BU of 6bsr by Molmil
Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the benzylpenicillin bound form.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Moon, T.M, D'Andrea, E.D, Peti, W, Page, R.
Deposit date:2017-12-04
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018

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