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7NVJ
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BU of 7nvj by Molmil
Crystal structure of UFC1 Y110A & F121A
Descriptor: GLYCEROL, Ubiquitin-fold modifier-conjugating enzyme 1
Authors:Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R.
Deposit date:2021-03-15
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for UFM1 transfer from UBA5 to UFC1.
Nat Commun, 12, 2021
4X91
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Crystal structure of Lysosomal Phospholipase A2 in complex with Isopropyl dodec-11-enylfluorophosphonate (IDFP)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Glukhova, A, Tesmer, J.J.G.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
4X1J
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BU of 4x1j by Molmil
X-ray crystal structure of the dimeric BMP antagonist NBL1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroblastoma suppressor of tumorigenicity 1
Authors:Thompson, T.B, Nolan, K, Kattamuri, C.
Deposit date:2014-11-24
Release date:2015-01-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Neuroblastoma Suppressor of Tumorigenicity 1 (NBL1): INSIGHTS FOR THE FUNCTIONAL VARIABILITY ACROSS BONE MORPHOGENETIC PROTEIN (BMP) ANTAGONISTS.
J.Biol.Chem., 290, 2015
4WRI
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BU of 4wri by Molmil
Crystal structure of okadaic acid binding protein 2.1
Descriptor: OKADAIC ACID, Okadaic acid binding protein 2-alpha
Authors:Ehara, H, Makino, M, Kodama, K, Ito, T, Sekine, S, Fukuzawa, S, Yokoyama, S, Tachibana, K.
Deposit date:2014-10-24
Release date:2015-05-27
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Okadaic Acid Binding Protein 2.1: A Sponge Protein Implicated in Cytotoxin Accumulation
Chembiochem, 16, 2015
4WSY
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BU of 4wsy by Molmil
Crystal structure of human Pim-1 kinase in complex with a thiazolamine-indazole inhibitor.
Descriptor: 5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-28
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4WT6
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BU of 4wt6 by Molmil
Crystal structure of human Pim-1 kinase in complex with a thiadiazolamine-indole inhibitor.
Descriptor: 6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-N-cyclopentylpyridin-2-amine, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4WPU
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BU of 4wpu by Molmil
Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, PHOSPHOENOLPYRUVATE, ...
Authors:Kim, H.L, Sacchettini, J.C.
Deposit date:2014-10-21
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
To Be Published
4X13
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BU of 4x13 by Molmil
JC Polyomavirus genotype 3 VP1 in complex with LSTc pentasaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X2U
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BU of 4x2u by Molmil
X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M1 Alanyl Aminopeptidase from P. falciparum
Descriptor: (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17.
Proteins, 83, 2015
4X3Q
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BU of 4x3q by Molmil
Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SibL
Authors:liu, J.S, Chen, S.C, Yang, C.S, Huang, C.H, Chen, Y.
Deposit date:2014-12-01
Release date:2015-11-25
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with SAH
To Be Published, 2015
4X4A
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BU of 4x4a by Molmil
Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with 2,7-Anhydro-Neu5Ac
Descriptor: 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID, ACETYL GROUP, Anhydrosialidase, ...
Authors:Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
Deposit date:2014-12-02
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
4X5R
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BU of 4x5r by Molmil
Crystal structure of FimH in complex with a squaryl-phenyl alpha-D-mannopyranoside derivative
Descriptor: 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside, Protein FimH, SULFATE ION
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4X6M
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BU of 4x6m by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4WO5
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BU of 4wo5 by Molmil
Crystal structure of a BRAF kinase domain monomer
Descriptor: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Critton, D.A.
Deposit date:2014-10-15
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal structure of a BRAF kinase domain monomer explains basis for allosteric regulation.
Nat.Struct.Mol.Biol., 22, 2015
2BNQ
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BU of 2bnq by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ...
Authors:Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
Deposit date:2005-03-31
Release date:2005-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines
J.Exp.Med., 201, 2005
4WRK
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BU of 4wrk by Molmil
The 3D structure of D95N mutant DUTPase from phage phi11 of S. aureus reveals the molecular details for the coordination of a structural Mg(II) ion
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
Authors:Bendes, A.A, Leveles, I, Vertessy, B.G.
Deposit date:2014-10-24
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The 3D structure of D95N mutant DUTPase from phage phi11 of S. aureus reveals the molecular details for the coordination of a structural Mg(II) ion
To Be Published
4WRQ
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BU of 4wrq by Molmil
Crystal Structure of 14-3-3 zeta with Chibby peptide
Descriptor: 14-3-3 protein zeta/delta, Chibby
Authors:Killoran, R.C, Shilton, B.H, Choy, W.Y.
Deposit date:2014-10-24
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Structural Analysis of the 14-3-3 zeta /Chibby Interaction Involved in Wnt/ beta-Catenin Signaling.
Plos One, 10, 2015
4X1T
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BU of 4x1t by Molmil
The crystal structure of Arabidopsis thaliana galactolipid synthase MGD1 in complex with UDP
Descriptor: 1,2-ETHANEDIOL, Monogalactosyldiacylglycerol synthase 1, chloroplastic, ...
Authors:Rocha, J, Breton, C.
Deposit date:2014-11-25
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants.
Plant J., 85, 2016
4X5K
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BU of 4x5k by Molmil
Human NAA50 complex with coenzyme A and an acetylated peptide
Descriptor: ACE-MMAS, COENZYME A, N-alpha-acetyltransferase 50
Authors:Reddi, R, Addlagatta, A.
Deposit date:2014-12-05
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Human NAA50 with coenzymeA and a peptide
To Be Published
4X5P
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BU of 4x5p by Molmil
Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside
Descriptor: 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.997 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4WRS
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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Descriptor: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-25
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8ST3
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BU of 8st3 by Molmil
The 2alpha3beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, CALCIUM ION, ...
Authors:Kang, G, Hibbs, R.E.
Deposit date:2023-05-09
Release date:2024-02-07
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural bases for stoichiometry-selective calcium potentiation of a neuronal nicotinic receptor.
Br.J.Pharmacol., 181, 2024
8ST1
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BU of 8st1 by Molmil
The 3alpha2beta stoichiometry of human alpha4beta2 nicotinic acetylcholine receptor in complex with acetylcholine and calcium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, CALCIUM ION, ...
Authors:Kang, G, Hibbs, R.E.
Deposit date:2023-05-09
Release date:2024-02-07
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structural bases for stoichiometry-selective calcium potentiation of a neuronal nicotinic receptor.
Br.J.Pharmacol., 181, 2024

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PDB entries from 2024-10-16

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