4MC0
 
 | | Hedycaryol apo | | 分子名称: | Putative sesquiterpene cyclase | | 著者 | Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. | | 登録日 | 2013-08-21 | | 公開日 | 2014-01-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
|
|
4NO8
 | | 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 | 2024-10-16 | | 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
|
|
6HFT
 | |
4NO9
 | | 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 | 2024-11-06 | | 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
|
|
4NO6
 | | 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 | 2024-11-06 | | 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
|
|
4NO1
 | | 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 | 2024-11-20 | | 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
|
|
4NNN
 | | 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 | 2024-11-20 | | 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
|
|
4NTC
 | | Crystal structure of GliT | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GliT | | 著者 | Scharf, D.H, Groll, M, Habel, A, Heinekamp, T, Hertweck, C, Brakhage, A.A, Huber, E.M. | | 登録日 | 2013-12-02 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Flavoenzyme-Catalyzed Formation of Disulfide Bonds in Natural Products
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4NCU
 | |
5MRN
 | | Arabidopsis thaliana IspD Glu258Ala Mutant | | 分子名称: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | 登録日 | 2016-12-23 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
5MRQ
 | | Arabidopsis thaliana IspD Asp262Ala Mutant | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | 登録日 | 2016-12-23 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
4OKZ
 | | Selinadiene Synthase in complex with dihydrofarnesyl pyrophosphate | | 分子名称: | (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate, MAGNESIUM ION, Terpene synthase metal-binding domain-containing protein | | 著者 | Baer, P, Rabe, P, Fischer, K, Citron, C.A, Klapschinski, T, Groll, M, Dickschat, J.S. | | 登録日 | 2014-01-23 | | 公開日 | 2014-06-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Induced-fit mechanism in class i terpene cyclases.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4MUX
 | | IspH in complex with pyridin-3-ylmethyl diphosphate | | 分子名称: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate | | 著者 | Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | | 登録日 | 2013-09-23 | | 公開日 | 2014-06-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
|
|
4OKM
 | | Selinadiene Synthase apo and in complex with diphosphate | | 分子名称: | MAGNESIUM ION, PYROPHOSPHATE, Terpene synthase metal-binding domain-containing protein | | 著者 | Baer, P, Rabe, P, Fischer, K, Citron, C.A, Klapschinski, T, Groll, M, Dickschat, J.S. | | 登録日 | 2014-01-22 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Induced-fit mechanism in class i terpene cyclases.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4QLU
 | | yCP in complex with tripeptidic epoxyketone inhibitor 9 | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2014-06-13 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
|
|
4QLS
 | | yCP in complex with tripeptidic epoxyketone inhibitor 11 | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2014-06-13 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
|
|
3SZL
 | | IspH:Ligand Mutants - wt 70sec | | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | 著者 | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | 登録日 | 2011-07-19 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
|
|
6HUV
 | | Yeast 20S proteasome with human beta2c (S171G) in complex with 39 | | 分子名称: | (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, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2018-10-09 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
|
|
6HW5
 | | Yeast 20S proteasome in complex with 18 | | 分子名称: | (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, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2018-10-11 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
|
|
6HV7
 | |
6HW8
 | | Yeast 20S proteasome in complex with 39 | | 分子名称: | (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, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2018-10-11 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
|
|
3SZU
 | | IspH:HMBPP complex structure of E126Q mutant | | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | | 著者 | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | 登録日 | 2011-07-19 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
|
|
6SBG
 | | Structure of type II terpene cyclase MstE_R337A from Scytonema in complex with geranylgeranyl dihydroxybenzoate (substrate) | | 分子名称: | GLYCEROL, MstE, geranylgeranyl dihydroxybenzoate | | 著者 | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | 登録日 | 2019-07-19 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
|
|
6SBB
 | | Structure of type II terpene cyclase MstE from Scytonema (apo) | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J. | | 登録日 | 2019-07-19 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
|
|
6HTB
 | | Yeast 20S proteasome with human beta2c (S171G) | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2018-10-03 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
|
|
