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4EY0
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BU of 4ey0 by Molmil
Structure of tandem SH2 domains from PLCgamma1
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
Authors:Cole, A.R, Mas-Droux, C.P, Bunney, T.D, Katan, M.
Deposit date:2012-05-01
Release date:2012-10-31
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Integration of the PLCgamma Interaction Domains Critical for Regulatory Mechanisms and Signaling Deregulation.
Structure, 20, 2012
1HFS
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BU of 1hfs by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-764,004
Descriptor: 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID, CALCIUM ION, STROMELYSIN-1, ...
Authors:Becker, J.W.
Deposit date:1997-02-13
Release date:1998-02-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of stromelysin-1 (MMP-3) by P1'-biphenylylethyl carboxyalkyl dipeptides.
J.Med.Chem., 40, 1997
7THT
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BU of 7tht by Molmil
CryoEM structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1042
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1042 heavy chain, ...
Authors:Manne, K, May, A, Acharya, P.
Deposit date:2022-01-12
Release date:2022-02-16
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TL9
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BU of 7tl9 by Molmil
SARS-CoV-2 Omicron 1-RBD up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-23
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TL1
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BU of 7tl1 by Molmil
SARS-CoV-2 Omicron 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-01-18
Release date:2022-02-23
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TEI
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BU of 7tei by Molmil
SARS-CoV-2 Omicron 1-RBD up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-01-05
Release date:2022-02-16
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TF8
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BU of 7tf8 by Molmil
SARS-CoV-2 Omicron 3-RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-Omicron)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-01-06
Release date:2022-02-16
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
4NAH
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BU of 4nah by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT)
Descriptor: 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAT
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BU of 4nat by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase
Descriptor: (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
Descriptor: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
Authors:Ferguson, A, Collie, G.W.
Deposit date:2020-05-22
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
3GIG
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BU of 3gig by Molmil
Crystal structure of phosphorylated DesKC in complex with AMP-PCP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK
Authors:Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D.
Deposit date:2009-03-05
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.502 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GIF
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BU of 3gif by Molmil
Crystal structure of DesKC_H188E in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor histidine kinase desK
Authors:Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D.
Deposit date:2009-03-05
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
3GIE
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BU of 3gie by Molmil
Crystal structure of DesKC_H188E in complex with AMP-PCP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK
Authors:Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D.
Deposit date:2009-03-05
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
3EHJ
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BU of 3ehj by Molmil
Crystal structure of DesKC-H188V in complex with AMP-PCP
Descriptor: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor kinase (YocF protein)
Authors:Albanesi, D, Alzari, P.M, Buschiazzo, A.
Deposit date:2008-09-12
Release date:2009-09-15
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
3EHH
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BU of 3ehh by Molmil
Crystal structure of DesKC-H188V in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor kinase (YocF protein)
Authors:Albanesi, D, Alzari, P.M, Buschiazzo, A.
Deposit date:2008-09-12
Release date:2009-09-15
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
3EHF
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BU of 3ehf by Molmil
Crystal structure of DesKC in complex with AMP-PCP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor kinase (YocF protein)
Authors:Albanesi, D, Alzari, P.M, Buschiazzo, A.
Deposit date:2008-09-12
Release date:2009-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
3PY1
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BU of 3py1 by Molmil
CDK2 ternary complex with SU9516 and ANS
Descriptor: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ...
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PXR
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BU of 3pxr by Molmil
Apo CDK2 crystallized from Jeffamine
Descriptor: 1,2-ETHANEDIOL, Cell division protein kinase 2
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PY0
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BU of 3py0 by Molmil
CDK2 in complex with inhibitor SU9516
Descriptor: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, Cell division protein kinase 2, ...
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PXY
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BU of 3pxy by Molmil
CDK2 in complex with inhibitor JWS648
Descriptor: 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, Cell division protein kinase 2, PHOSPHATE ION
Authors:Han, H, Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PXZ
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BU of 3pxz by Molmil
CDK2 ternary complex with JWS648 and ANS
Descriptor: 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PXQ
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BU of 3pxq by Molmil
CDK2 in complex with 3 molecules of 8-anilino-1-naphthalene sulfonate
Descriptor: 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PXF
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BU of 3pxf by Molmil
CDK2 in complex with two molecules of 8-anilino-1-naphthalene sulfonate
Descriptor: 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-09
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
7TOU
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BU of 7tou by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 3-RBD-down conformation; consensus state D1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022
7TOV
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BU of 7tov by Molmil
Delta (B.1.617.2) SARS-CoV-2 variant spike protein (S-GSAS-Delta) in the 1-RBD-up conformation; consensus state D2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2022-01-24
Release date:2022-02-09
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural diversity of the SARS-CoV-2 Omicron spike.
Mol.Cell, 82, 2022

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