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1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
Descriptor: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-28
Release date:2000-04-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
5KUX
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BU of 5kux by Molmil
Designed influenza hemagglutinin binding protein HSB.2
Descriptor: Designed influenza inhibitor protein HSB.2
Authors:Lee, P.S, Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
5KUY
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BU of 5kuy by Molmil
Influenza hemagglutinin H3 A/Hong Kong/1/1968 in complex with designed inhibitor protein HSB.2A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Designed influenza inhibitor HSB.2A, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
5WVI
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BU of 5wvi by Molmil
The resting state of yeast proteasome
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Ding, Z, Cong, Y.
Deposit date:2016-12-25
Release date:2017-03-22
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:High-resolution cryo-EM structure of the proteasome in complex with ADP-AlFx
Cell Res., 27, 2017
1MQ5
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BU of 1mq5 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
Descriptor: 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
1MQ6
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BU of 1mq6 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
Descriptor: 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
2RG6
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BU of 2rg6 by Molmil
Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J
Descriptor: 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2007-10-02
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
5WVK
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BU of 5wvk by Molmil
Yeast proteasome-ADP-AlFx
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Ding, Z, Cong, Y.
Deposit date:2016-12-25
Release date:2017-03-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:High-resolution cryo-EM structure of the proteasome in complex with ADP-AlFx
Cell Res., 27, 2017
7YTE
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BU of 7yte by Molmil
crystal structure of human FcmR-D1 bound to IgM C4-domain
Descriptor: Fas apoptotic inhibitory molecule 3, Ig mu chain C region secreted form
Authors:Li, Y, Shen, H, Xiao, J.
Deposit date:2022-08-14
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YTC
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BU of 7ytc by Molmil
Cryo-EM structure of human FcmR bound to IgM-Fc/J
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fas apoptotic inhibitory molecule 3, Immunoglobulin J chain, ...
Authors:Li, Y, Shen, H, Xiao, J.
Deposit date:2022-08-14
Release date:2023-02-01
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YTD
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BU of 7ytd by Molmil
Cryo-EM structure of four human FcmR bound to IgM-Fc/J
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fas apoptotic inhibitory molecule 3, Immunoglobulin J chain, ...
Authors:Li, Y, Shen, H, Xiao, J.
Deposit date:2022-08-14
Release date:2023-02-01
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YSG
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BU of 7ysg by Molmil
Cryo-EM structure of human FcmR bound to sIgM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fas apoptotic inhibitory molecule 3, ...
Authors:Li, Y, Shen, H, Xiao, J.
Deposit date:2022-08-12
Release date:2023-02-01
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
2RG5
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BU of 2rg5 by Molmil
Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
Descriptor: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
Authors:Sack, J.S.
Deposit date:2007-10-02
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
5Z9I
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BU of 5z9i by Molmil
Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like enzyme
Authors:Lu, M, Lin, L, Zhang, C, Chen, Y.
Deposit date:2018-02-03
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases.
Chembiochem, 2020
8IXS
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BU of 8ixs by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Nomura, A, Yamaguchi, K, Adachi, T.
Deposit date:2023-04-03
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
8IVR
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BU of 8ivr by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Nomura, A, Yamaguchi, K, Adachi, T.
Deposit date:2023-03-28
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
4EMP
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BU of 4emp by Molmil
Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G.
Deposit date:2012-04-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
5X1G
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BU of 5x1g by Molmil
WHAMM's Microtubule binding motif
Descriptor: WASP homolog-associated protein with actin, membranes and microtubules
Authors:Liu, T, Wang, H.W.
Deposit date:2017-01-25
Release date:2017-07-05
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural Insights of WHAMM's Interaction with Microtubules by Cryo-EM
J. Mol. Biol., 429, 2017
6B1B
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BU of 6b1b by Molmil
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme)
Descriptor: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, trimethylamine oxide
Authors:Zhou, D, Kandavelu, P, Wang, B.C, Yan, Y, Rose, J.P.
Deposit date:2017-09-18
Release date:2019-05-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
Descriptor: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
Authors:Sack, J.S.
Deposit date:2008-01-11
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
7CYZ
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BU of 7cyz by Molmil
The structure of human ORP3 OSBP-related domain
Descriptor: Oxysterol-binding protein-related protein 3
Authors:Dong, X.
Deposit date:2020-09-05
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of ORP3 reveals the conservative PI4P binding pattern.
Biochem.Biophys.Res.Commun., 529, 2020
5C94
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BU of 5c94 by Molmil
Infectious bronchitis virus nsp9
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-structural protein 9
Authors:Chen, C, Dou, Y, Yang, H, Su, D.
Deposit date:2015-06-26
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural basis for dimerization and RNA binding of avian infectious bronchitis virus nsp9.
Protein Sci., 26, 2017
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
Descriptor: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023

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