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4K3J
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BU of 4k3j by Molmil
Crystal structure of Onartuzumab Fab in complex with MET and HGF-beta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor, Hepatocyte growth factor beta chain, ...
Authors:Ma, X, Starovasnik, M.A.
Deposit date:2013-04-10
Release date:2013-08-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Monovalent antibody design and mechanism of action of onartuzumab, a MET antagonist with anti-tumor activity as a therapeutic agent.
Proc.Natl.Acad.Sci.USA, 110, 2013
1SHO
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BU of 1sho by Molmil
CRYSTAL STRUCTURE OF VANCOMYCIN AT ATOMIC RESOLUTION
Descriptor: ACETATE ION, CHLORIDE ION, VANCOMYCIN, ...
Authors:Sheldrick, G.M.
Deposit date:1997-07-23
Release date:1997-12-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystal Structure of Vancomycin.
Structure, 4, 1996
4W9Y
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BU of 4w9y by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a glutamyl sulfamide inhibitor CJC47
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Pavlicek, J, Barinka, C.
Deposit date:2014-08-28
Release date:2015-09-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
7O3W
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BU of 7o3w by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3X
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BU of 7o3x by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O40
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BU of 7o40 by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3Y
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BU of 7o3y by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3Z
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BU of 7o3z by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
8CJ9
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BU of 8cj9 by Molmil
Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
Descriptor: 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2023-02-12
Release date:2024-02-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
7O49
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BU of 7o49 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, CHLORIDE ION, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O4A
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BU of 7o4a by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with piperacillin
Descriptor: Hydrolyzed piperacillin, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.028 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O4C
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BU of 7o4c by Molmil
Crystal structure of PASTA domains of the Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
Descriptor: CHLORIDE ION, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
6Z0F
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BU of 6z0f by Molmil
Crystal structure of the membrane pseudokinase YukC/EssB from Bacillus subtilis T7SS
Descriptor: ESX secretion system protein YukC
Authors:Tassinari, M, Bellinzoni, M, Alzari, P.M, Fronzes, R, Gubellini, F.
Deposit date:2020-05-08
Release date:2021-05-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:The Antibacterial Type VII Secretion System of Bacillus subtilis: Structure and Interactions of the Pseudokinase YukC/EssB.
Mbio, 13, 2022
5CAL
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BU of 5cal by Molmil
EGFR kinase domain mutant "TMLR" with compound 24
Descriptor: 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5C8N
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BU of 5c8n by Molmil
EGFR kinase domain mutant "TMLR" with compound 23
Descriptor: Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-25
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5C8K
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BU of 5c8k by Molmil
EGFR kinase domain mutant "TMLR" with compound 1
Descriptor: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-25
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAP
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BU of 5cap by Molmil
EGFR kinase domain mutant "TMLR" with compound 30
Descriptor: 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
2P7M
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BU of 2p7m by Molmil
Crystal structure of monoclinic form of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes at pH 6.5
Descriptor: Glyoxalase family protein
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
2P7L
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BU of 2p7l by Molmil
Crystal structure of monoclinic form of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes at pH 5.75
Descriptor: GLYCEROL, Glyoxalase family protein
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
2P7P
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BU of 2p7p by Molmil
Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and sulfate ion
Descriptor: Glyoxalase family protein, MANGANESE (II) ION, SULFATE ION
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
8CD9
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BU of 8cd9 by Molmil
Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6
Descriptor: 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ...
Authors:Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M.
Deposit date:2023-01-30
Release date:2024-02-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
8C8P
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BU of 8c8p by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the 10D12 heavy-chain-only antibody (local refinement)
Descriptor: Heavy-chain-only antibody 10D12, Spike glycoprotein,SARS-CoV-2 spike glycoprotein
Authors:Serna Martin, I, Hurdiss, D.L.
Deposit date:2023-01-20
Release date:2023-02-22
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Avidity engineering of human heavy-chain-only antibodies mitigates neutralization resistance of SARS-CoV-2 variants.
Front Immunol, 14, 2023
8QJR
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BU of 8qjr by Molmil
BRG1 bromodomain in complex with VBC via compound 17
Descriptor: (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJS
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BU of 8qjs by Molmil
VHL/Elongin B/Elongin C complex with compound 155
Descriptor: (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.191 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJT
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BU of 8qjt by Molmil
BRM (SMARCA2) Bromodomain in complex with ligand 10
Descriptor: 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ...
Authors:Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
Deposit date:2023-09-13
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.568 Å)
Cite:PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024

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數據於2024-11-06公開中

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