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1SC8
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BU of 1sc8 by Molmil
Urokinase Plasminogen Activator B-Chain-J435 Complex
分子名称: N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLYCINAMIDE, SULFATE ION, plasminogen activator, ...
著者Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J.
登録日2004-02-12
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents
J.Biol.Chem., 279, 2004
1VJ9
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BU of 1vj9 by Molmil
Urokinase Plasminogen Activator B-Chain-JT464 Complex
分子名称: N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE, SULFATE ION, plasminogen activator, ...
著者Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J.
登録日2004-02-03
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents
J.Biol.Chem., 279, 2004
1VJA
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BU of 1vja by Molmil
Urokinase Plasminogen Activator B-Chain-JT463 Complex
分子名称: N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE, SULFATE ION, plasminogen activator, ...
著者Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J.
登録日2004-02-03
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents
J.Biol.Chem., 279, 2004
7UHC
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BU of 7uhc by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
7UHB
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BU of 7uhb by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175 (local refinement of the RBD and AHB2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
4R17
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BU of 4r17 by Molmil
Ligand-induced aziridine-formation at subunit beta5 of the yeast 20S proteasome
分子名称: (2S,3S)-3-methylaziridine-2-carboxylic acid, MAGNESIUM ION, Proteasome subunit alpha type-1, ...
著者Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M.
登録日2014-08-04
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
4R18
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BU of 4r18 by Molmil
Ligand-induced Lys33-Thr1 crosslinking at subunit beta5 of the yeast 20S proteasome
分子名称: ALPHA-AMINOBUTYRIC ACID, MAGNESIUM ION, PROTEASOME SUBUNIT ALPHA TYPE-1, ...
著者Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M.
登録日2014-08-04
公開日2014-10-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
5DKI
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BU of 5dki by Molmil
Yeast 20S proteasome in complex with alkyne-PI
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Beck, P, Cui, H, Groll, M.
登録日2015-09-03
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 2015
5DKJ
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BU of 5dkj by Molmil
Yeast 20S proteasome in complex with octreotide-PI
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Beck, P, Cui, H, Groll, M.
登録日2015-09-03
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 2015
3GEE
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BU of 3gee by Molmil
Crystal structure of MnmE from Chlorobium tepidum in complex with GDP and FOLINIC ACID
分子名称: GUANOSINE-5'-DIPHOSPHATE, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, tRNA modification GTPase mnmE
著者Meyer, S, Wittinghofer, A.
登録日2009-02-25
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
3GEI
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BU of 3gei by Molmil
Crystal structure of MnmE from Chlorobium tepidum in complex with GCP
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, tRNA modification GTPase mnmE
著者Meyer, S, Wittinghofer, A.
登録日2009-02-25
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
3GEH
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Crystal structure of MnmE from Nostoc in complex with GDP, FOLINIC ACID and ZN
分子名称: GUANOSINE-5'-DIPHOSPHATE, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ZINC ION, ...
著者Meyer, S, Wittinghofer, A.
登録日2009-02-25
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
分子名称: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-30
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
分子名称: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-29
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
6FBJ
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BU of 6fbj by Molmil
monoclonal antibody targeting Matrix metalloproteinase 7
分子名称: Heavy Chain, Light chain
著者Dym, O.
登録日2017-12-19
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel monoclonal antibody targeting Matrix metalloproteinase 7 shows therapeutic potential against pancreatic cancer
To Be Published
4NNW
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BU of 4nnw by Molmil
yCP in complex with Z-Leu-Leu-Leu-ketoaldehyde
分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ...
著者Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
登録日2013-11-19
公開日2014-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NO6
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BU of 4no6 by Molmil
yCP in complex with Z-Leu-Leu-Leu-vinylsulfone
分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ...
著者Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
登録日2013-11-19
公開日2014-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NNN
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yCP in complex with MG132
分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ...
著者Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
登録日2013-11-18
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NO8
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yCP in complex with Z-Leu-Leu-Leu-ketoamide
分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ...
著者Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
登録日2013-11-19
公開日2014-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NO1
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yCP in complex with Z-Leu-Leu-Leu-B(OH)2
分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide, Probable proteasome subunit alpha type-7, ...
著者Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
登録日2013-11-19
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NO9
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yCP in complex with Z-Leu-Leu-Leu-epoxyketone
分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide, ...
著者Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
登録日2013-11-19
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
7Q4H
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BU of 7q4h by Molmil
A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex with PMSF
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, GLYCEROL, ...
著者Pinotsis, N, Wilmanns, M.
登録日2021-10-30
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.00003219 Å)
主引用文献Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023
7Q4J
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A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex a monoacylglycerol intermediate
分子名称: CHLORIDE ION, DECANE, GLYCEROL, ...
著者Pinotsis, N, Wilmanns, M.
登録日2021-10-31
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
分子名称: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
著者Wang, C, Zhang, B.
登録日2022-04-06
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.946 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-04
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022

 

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