6BNN
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![BU of 6bnn by Molmil](/molmil-images/mine/6bnn) | Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2 | Descriptor: | COBALT (II) ION, FORMIC ACID, GLUTATHIONE, ... | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays. Febs J., 286, 2019
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6BNZ
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![BU of 6bnz by Molmil](/molmil-images/mine/6bnz) | Crystal structure of E144Q-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2 | Descriptor: | COBALT (II) ION, FORMIC ACID, GLUTATHIONE, ... | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays. Febs J., 286, 2019
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3I2E
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![BU of 3i2e by Molmil](/molmil-images/mine/3i2e) | Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. | Deposit date: | 2009-06-29 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
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6AXW
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![BU of 6axw by Molmil](/molmil-images/mine/6axw) | |
3I14
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![BU of 3i14 by Molmil](/molmil-images/mine/3i14) | |
5OCJ
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![BU of 5ocj by Molmil](/molmil-images/mine/5ocj) | Crystal structure of Ag85C bound to cyclophostin 8beta inhibitor | Descriptor: | DIMETHYL SULFOXIDE, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid | Authors: | Viljoen, A, Richard, M, Nguyen, P.C, Spilling, C.D, Canaan, S, Cavalier, J.F, Blaise, M, Kremer, L. | Deposit date: | 2017-07-03 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyclipostins and cyclophostin analogs inhibit the antigen 85C from J. Biol. Chem., 293, 2018
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6OHG
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![BU of 6ohg by Molmil](/molmil-images/mine/6ohg) | Structure of Plasmodium falciparum vaccine candidate Pfs230D1M in complex with the Fab of a transmission blocking antibody | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 4F12 Heavy chain, ... | Authors: | Garboczi, D.N, Singh, K, Gittis, A.G. | Deposit date: | 2019-04-05 | Release date: | 2020-06-17 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | Structure and function of a malaria transmission blocking vaccine targeting Pfs230 and Pfs230-Pfs48/45 proteins. Commun Biol, 3, 2020
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3I15
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3I4A
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![BU of 3i4a by Molmil](/molmil-images/mine/3i4a) | Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D. | Deposit date: | 2009-07-01 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
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5OLP
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![BU of 5olp by Molmil](/molmil-images/mine/5olp) | Galacturonidase | Descriptor: | CALCIUM ION, Pectate lyase | Authors: | Basle, A, Luis, A.S, Gilbert, H.J. | Deposit date: | 2017-07-28 | Release date: | 2017-11-29 | Last modified: | 2018-12-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides. Nat Microbiol, 3, 2018
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3I13
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6DHL
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![BU of 6dhl by Molmil](/molmil-images/mine/6dhl) | Bovine glutamate dehydrogenase complexed with epicatechin-3-gallate (ECG) | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Glutamate dehydrogenase 1, mitochondrial | Authors: | Smith, T.J. | Deposit date: | 2018-05-20 | Release date: | 2018-07-25 | Method: | X-RAY DIFFRACTION (3.624 Å) | Cite: | Green tea polyphenols control dysregulated glutamate dehydrogenase in transgenic mice by hijacking the ADP activation site. J. Biol. Chem., 286, 2011
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3I4V
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![BU of 3i4v by Molmil](/molmil-images/mine/3i4v) | Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 3-chlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3-chlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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3I51
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![BU of 3i51 by Molmil](/molmil-images/mine/3i51) | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 4,5-dichlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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5DKI
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![BU of 5dki by Molmil](/molmil-images/mine/5dki) | Yeast 20S proteasome in complex with alkyne-PI | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Beck, P, Cui, H, Groll, M. | Deposit date: | 2015-09-03 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation. Chemmedchem, 10, 2015
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3I11
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3I0V
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![BU of 3i0v by Molmil](/molmil-images/mine/3i0v) | |
5B6J
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3I4Y
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![BU of 3i4y by Molmil](/molmil-images/mine/3i4y) | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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6DET
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![BU of 6det by Molmil](/molmil-images/mine/6det) | |
5DKJ
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![BU of 5dkj by Molmil](/molmil-images/mine/5dkj) | Yeast 20S proteasome in complex with octreotide-PI | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Beck, P, Cui, H, Groll, M. | Deposit date: | 2015-09-03 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation. Chemmedchem, 10, 2015
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7Z0P
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![BU of 7z0p by Molmil](/molmil-images/mine/7z0p) | SARS-COV2 Main Protease in complex with inhibitor MG-131 | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-02-23 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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4M1D
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![BU of 4m1d by Molmil](/molmil-images/mine/4m1d) | |
4HI2
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![BU of 4hi2 by Molmil](/molmil-images/mine/4hi2) | |
4HI1
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![BU of 4hi1 by Molmil](/molmil-images/mine/4hi1) | |