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1MKV
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BU of 1mkv by Molmil
CARBOXYLIC ESTER HYDROLASE COMPLEX (PLA2 + TRANSITION STATE ANALOG COMPLEX)
Descriptor: 1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-09-13
Release date:1998-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure of the complex of bovine pancreatic phospholipase A2 with a transition-state analogue.
Acta Crystallogr.,Sect.D, 54, 1998
6R9G
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BU of 6r9g by Molmil
Structural basis of transcription inhibition by the DNA mimic Ocr protein of bacteriophage T7
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Ye, F.Z, Zhang, X.D.
Deposit date:2019-04-03
Release date:2020-02-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of transcription inhibition by the DNA mimic protein Ocr of bacteriophage T7.
Elife, 9, 2020
1MKT
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BU of 1mkt by Molmil
CARBOXYLIC ESTER HYDROLASE, 1.72 ANGSTROM TRIGONAL FORM OF THE BOVINE RECOMBINANT PLA2 ENZYME
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-09-06
Release date:1998-03-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:1.72 A resolution refinement of the trigonal form of bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.D, 54, 1998
5VO2
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BU of 5vo2 by Molmil
DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
Descriptor: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2017-05-01
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
Descriptor: Endolysin, FE (III) ION, MAGNESIUM ION, ...
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-06-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4OLK
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BU of 4olk by Molmil
The CHAP domain of LysGH15
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-05-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
5VO1
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BU of 5vo1 by Molmil
DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)
Descriptor: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2017-05-01
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
1MKU
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BU of 1mku by Molmil
CARBOXYLIC ESTER HYDROLASE, ORTHORHOMBIC FORM OF THE TRIPLE MUTANT
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1997-09-10
Release date:1997-12-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phospholipase A2 engineering. Structural and functional roles of the highly conserved active site residue aspartate-99.
Biochemistry, 36, 1997
5VZT
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BU of 5vzt by Molmil
Crystal structure of the Skp1-FBXO31 complex
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, F-box only protein 31, PHOSPHATE ION, ...
Authors:Li, Y, Jin, K, Hao, B.
Deposit date:2017-05-29
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCFFBXO31 ubiquitin ligase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NK2
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BU of 5nk2 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2b
Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKA
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BU of 5nka by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2g
Descriptor: 1,2-ETHANEDIOL, 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NJZ
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BU of 5njz by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1g
Descriptor: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK1
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BU of 5nk1 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1k
Descriptor: 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK6
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BU of 5nk6 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2d
Descriptor: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.267 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK5
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BU of 5nk5 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1m
Descriptor: 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.329 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKD
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BU of 5nkd by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2i
Descriptor: 1,2-ETHANEDIOL, 2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.408 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK0
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BU of 5nk0 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1j
Descriptor: 2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK4
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BU of 5nk4 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2c
Descriptor: 1,2-ETHANEDIOL, 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKB
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BU of 5nkb by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4a
Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKH
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BU of 5nkh by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3e
Descriptor: 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2017-03-31
Release date:2017-06-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
3CI5
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BU of 3ci5 by Molmil
Complex of Phosphorylated Dictyostelium Discoideum Actin with Gelsolin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Baek, K, Dominguez, R.
Deposit date:2008-03-10
Release date:2008-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modulation of actin structure and function by phosphorylation of Tyr-53 and profilin binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CHW
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BU of 3chw by Molmil
Complex of Dictyostelium discoideum Actin with Profilin and the Last Poly-Pro of Human VASP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Major actin, ...
Authors:Baek, K, Dominguez, R.
Deposit date:2008-03-10
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Modulation of actin structure and function by phosphorylation of Tyr-53 and profilin binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CIP
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BU of 3cip by Molmil
Complex of Dictyostelium Discoideum Actin with Gelsolin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Baek, K, Dominguez, R.
Deposit date:2008-03-11
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Modulation of actin structure and function by phosphorylation of Tyr-53 and profilin binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7YDY
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BU of 7ydy by Molmil
SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-04
Release date:2022-08-24
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YEG
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BU of 7yeg by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2
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 2, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-05
Release date:2022-08-24
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022

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