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5Y6K
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BU of 5y6k by Molmil
Human serum trnasferrin bound to a fluorescent probe
Descriptor: (2S)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid, FE (III) ION, MALONATE ION, ...
Authors:Jiang, N, Cheng, T, Wang, M, Chan, G.C.F, Jin, L, Li, H, Sun, H.
Deposit date:2017-08-12
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Tracking iron-associated proteomes in pathogens by a fluorescence approach.
Metallomics, 10, 2018
8T25
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BU of 8t25 by Molmil
Cryo-EM structure of the RBD-ACE2 interface of the SARS-CoV-2 trimeric spike protein bound to ACE2 receptor after local refinement at downRBD conformation.
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8TAZ
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BU of 8taz by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Liang, B.
Deposit date:2023-06-28
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8T21
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BU of 8t21 by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein
Descriptor: Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8T23
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BU of 8t23 by Molmil
Cryo-EM structure of the RBD-ACE2 interface of the SARS-CoV-2 trimeric spike protein bound to ACE2 receptor after local refinement at upRBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8T20
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BU of 8t20 by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to two mink ACE2 receptors
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8T22
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BU of 8t22 by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors at downRBD conformation
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
1D5M
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BU of 1d5m by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Swain, A.L, Crowther, R, Kammlott, U.
Deposit date:1999-10-07
Release date:2000-06-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D5X
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BU of 1d5x by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB
Descriptor: DIPEPTIDE MIMETIC INHIBITOR, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-12
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D5Z
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BU of 1d5z by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB
Descriptor: PROTEIN (ENTEROTOXIN TYPE B), PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN), PROTEIN (PEPTIDOMIMETIC INHIBITOR)
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-12
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D6E
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BU of 1d6e by Molmil
CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB
Descriptor: ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-13
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
2FVD
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BU of 2fvd by Molmil
Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor
Descriptor: (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE, Cell division protein kinase 2
Authors:Crowther, R.L, Lukacs, C.M, Kammlott, R.U.
Deposit date:2006-01-30
Release date:2006-10-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), a potent and selective cyclin-dependent kinase inhibitor with significant in vivo antitumor activity.
J.Med.Chem., 49, 2006
6LCY
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BU of 6lcy by Molmil
Crystal structure of Synaptotagmin-7 C2B in complex with IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
Authors:Zhang, Y, Zhang, X, Rao, F, Wang, C.
Deposit date:2019-11-20
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
4J3E
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BU of 4j3e by Molmil
The 1.9A crystal structure of humanized Xenopus Mdm2 with nutlin-3a
Descriptor: 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C.M, Kammlott, R.U, Crowther, R.
Deposit date:2013-02-05
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of RG7112: A Small-Molecule MDM2 Inhibitor in Clinical Development.
ACS Med Chem Lett, 4, 2013
1FNK
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BU of 1fnk by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S
Descriptor: PROTEIN (CHORISMATE MUTASE)
Authors:Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D.
Deposit date:2000-08-22
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
1FNJ
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BU of 1fnj by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K
Descriptor: PROTEIN (CHORISMATE MUTASE)
Authors:Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D.
Deposit date:2000-08-22
Release date:2000-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
4LWV
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BU of 4lwv by Molmil
The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353
Descriptor: (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Janson, C.A.
Deposit date:2013-07-28
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development.
ACS MED.CHEM.LETT., 5, 2014
4LWT
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BU of 4lwt by Molmil
The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344
Descriptor: (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Kammlott, U.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
4LWU
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BU of 4lwu by Molmil
The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252
Descriptor: (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Janson, C.A.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
4JSC
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BU of 4jsc by Molmil
The 2.5A crystal structure of humanized Xenopus MDM2 with RO5316533 - a pyrrolidine MDM2 inhibitor
Descriptor: (3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2
Authors:Janson, C.A, Lukacs, C, Graves, B.
Deposit date:2013-03-22
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
4JRG
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BU of 4jrg by Molmil
The 1.9A crystal structure of humanized Xenopus MDM2 with RO5313109 - a pyrrolidine MDM2 inhibitor
Descriptor: (3R,4R,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2
Authors:Graves, B.J, Janson, C.A, Lukacs, C.
Deposit date:2013-03-21
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
4J7D
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BU of 4j7d by Molmil
The 1.25A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5045331
Descriptor: (4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Janson, C, Lukacs, C, Graves, B.
Deposit date:2013-02-13
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
4J74
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BU of 4j74 by Molmil
The 1.2A crystal structure of humanized Xenopus MDM2 with RO0503918 - a nutlin fragment
Descriptor: (4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Janson, C, Lukacs, C, Kammlott, U, Graves, B.
Deposit date:2013-02-12
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
4J7E
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BU of 4j7e by Molmil
The 1.63A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5524529
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(4S,5R)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
Authors:Janson, C, Lukacs, C, Graves, B.
Deposit date:2013-02-13
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
7W5E
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BU of 7w5e by Molmil
Oxidase ChaP D49L mutant
Descriptor: ChaP, FE (III) ION
Authors:Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R.
Deposit date:2021-11-30
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022

 

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