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4INU
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BU of 4inu by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU112
Descriptor: N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors:Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4INR
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BU of 4inr by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU102
Descriptor: N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors:Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4INT
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BU of 4int by Molmil
Yeast 20S proteasome in complex with the vinyl sulfone LU122
Descriptor: HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ...
Authors:Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F.
Deposit date:2013-01-06
Release date:2013-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
4QLV
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BU of 4qlv by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 17
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide, ...
Authors:de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLQ
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BU of 4qlq by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 8
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ...
Authors:De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLT
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BU of 4qlt by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 2 (PR924)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-L-tryptophanamide, ...
Authors:de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLU
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BU of 4qlu by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 9
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide, ...
Authors:de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
4QLS
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BU of 4qls by Molmil
yCP in complex with tripeptidic epoxyketone inhibitor 11
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ...
Authors:De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H.
Deposit date:2014-06-13
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
5JHR
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BU of 5jhr by Molmil
Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 27
Descriptor: (2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2016-04-21
Release date:2016-08-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
5JHS
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BU of 5jhs by Molmil
Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 15
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2016-04-21
Release date:2016-08-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
6HUV
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BU of 6huv by Molmil
Yeast 20S proteasome with human beta2c (S171G) in complex with 39
Descriptor: (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-09
Release date:2019-01-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HW5
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BU of 6hw5 by Molmil
Yeast 20S proteasome in complex with 18
Descriptor: (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HV7
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BU of 6hv7 by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with 7
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-10
Release date:2019-01-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HW8
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BU of 6hw8 by Molmil
Yeast 20S proteasome in complex with 39
Descriptor: (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HTB
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BU of 6htb by Molmil
Yeast 20S proteasome with human beta2c (S171G)
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-03
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HUQ
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BU of 6huq by Molmil
Yeast 20S proteasome with human beta2c (S171G) in complex with 20
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-09
Release date:2019-01-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HVX
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BU of 6hvx by Molmil
Yeast 20S proteasome in complex with 4
Descriptor: (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HTC
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BU of 6htc by Molmil
Yeast 20S proteasome with human beta2c (S171G) in complex with ONX 0914
Descriptor: (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-03
Release date:2019-01-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HW0
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BU of 6hw0 by Molmil
Yeast 20S proteasome in complex with 7
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HUC
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BU of 6huc by Molmil
Yeast 20S proteasome with human beta2c (S171G) in complex with 18
Descriptor: (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-05
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HVS
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BU of 6hvs by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with 18
Descriptor: (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HWB
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BU of 6hwb by Molmil
Yeast 20S proteasome in complex with 44b
Descriptor: (2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HWD
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BU of 6hwd by Molmil
Yeast 20S proteasome beta2-G45A mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HVR
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BU of 6hvr by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with 16
Descriptor: (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
6HWC
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BU of 6hwc by Molmil
Yeast 20S proteasome beta2-G45A mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2018-10-11
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019

 

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