5AVA
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7OLL
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![BU of 7oll by Molmil](/molmil-images/mine/7oll) | Dioxygenase AsqJ mutant (V72I) in complex with 2b and Tris | Descriptor: | (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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7P8P
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![BU of 7p8p by Molmil](/molmil-images/mine/7p8p) | Crystal structure of Fhit covalently bound to a nucleotide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bis(5'-adenosyl)-triphosphatase, SODIUM ION, ... | Authors: | Herzog, D, Missun, M, Diederichs, K, Marx, A. | Deposit date: | 2021-07-23 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Chemical Proteomics of the Tumor Suppressor Fhit Covalently Bound to the Cofactor Ap 3 A Elucidates Its Inhibitory Action on Translation. J.Am.Chem.Soc., 144, 2022
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7OLP
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![BU of 7olp by Molmil](/molmil-images/mine/7olp) | Dioxygenase AsqJ mutant (V72I) in complex with 2 and alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, 4-Methoxydehydrocyclopeptin, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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7OLQ
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![BU of 7olq by Molmil](/molmil-images/mine/7olq) | Dioxygenase AsqJ mutant (V72I) in complex with 2 and Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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4PDJ
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![BU of 4pdj by Molmil](/molmil-images/mine/4pdj) | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | Deposit date: | 2014-04-18 | Release date: | 2015-04-15 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 111, 2014
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8AX2
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6X44
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![BU of 6x44 by Molmil](/molmil-images/mine/6x44) | High Resolution Crystal Structure Analysis of SERA5 proenzyme from plasmodium falciparum | Descriptor: | DI(HYDROXYETHYL)ETHER, Serine repeat antigen 5 | Authors: | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | Deposit date: | 2020-05-22 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19733953 Å) | Cite: | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen. Protein Sci., 29, 2020
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1RVW
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![BU of 1rvw by Molmil](/molmil-images/mine/1rvw) | R STATE HUMAN HEMOGLOBIN [ALPHA V96W], CARBONMONOXY | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PHOSPHATE ION, ... | Authors: | Puius, Y.A, Zou, M, Ho, N.T, Ho, C, Almo, S.C. | Deposit date: | 1997-03-20 | Release date: | 1998-03-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel water-mediated hydrogen bonds as the structural basis for the low oxygen affinity of the blood substitute candidate rHb(alpha 96Val-->Trp). Biochemistry, 37, 1998
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7OME
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5AXK
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![BU of 5axk by Molmil](/molmil-images/mine/5axk) | Crystal structure of Thg1 like protein (TLP) | Descriptor: | GLYCEROL, tRNA(His)-5'-guanylyltransferase (Thg1) like protein | Authors: | Kimura, S, Suzuki, T, Yu, J, Kato, K, Yao, M. | Deposit date: | 2015-07-31 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Template-dependent nucleotide addition in the reverse (3'-5') direction by Thg1-like protein Sci Adv, 2, 2016
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8AXK
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6HVV
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![BU of 6hvv by Molmil](/molmil-images/mine/6hvv) | Yeast 20S proteasome with human beta2i (1-53) 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: | 2024-01-24 | 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
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7OLK
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![BU of 7olk by Molmil](/molmil-images/mine/7olk) | Dioxygenase AsqJ in complex with 2b and Tris | Descriptor: | (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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7OLT
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![BU of 7olt by Molmil](/molmil-images/mine/7olt) | Dioxygenase AsqJ in complex with 2 and Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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1R63
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![BU of 1r63 by Molmil](/molmil-images/mine/1r63) | STRUCTURAL ROLE OF A BURIED SALT BRIDGE IN THE 434 REPRESSOR DNA-BINDING DOMAIN, NMR, 20 STRUCTURES | Descriptor: | REPRESSOR PROTEIN FROM BACTERIOPHAGE 434 | Authors: | Pervushin, K.V, Billeter, M, Siegal, G, Wuthrich, K. | Deposit date: | 1996-11-08 | Release date: | 1997-06-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural role of a buried salt bridge in the 434 repressor DNA-binding domain. J.Mol.Biol., 264, 1996
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6HWD
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![BU of 6hwd by Molmil](/molmil-images/mine/6hwd) | 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: | 2024-01-24 | 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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6QD4
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![BU of 6qd4 by Molmil](/molmil-images/mine/6qd4) | MloK1 model from single particle analysis of 2D crystals, class 8 (intermediate conformation) | Descriptor: | Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION | Authors: | Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H. | Deposit date: | 2018-12-31 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM. Nat Commun, 10, 2019
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1ULX
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![BU of 1ulx by Molmil](/molmil-images/mine/1ulx) | Partially photolyzed structure of CO-bound heme-heme oxygenase complex | Descriptor: | CARBON MONOXIDE, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Sakamoto, H, Noguchi, M, Fukuyama, K. | Deposit date: | 2003-09-16 | Release date: | 2004-08-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CO-trapping site in heme oxygenase revealed by photolysis of its co-bound heme complex: mechanism of escaping from product inhibition J.Mol.Biol., 341, 2004
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4PEP
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1ZOA
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![BU of 1zoa by Molmil](/molmil-images/mine/1zoa) | Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | Authors: | Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A. | Deposit date: | 2005-05-12 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation. Biochemistry, 50, 2011
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1UJ1
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![BU of 1uj1 by Molmil](/molmil-images/mine/1uj1) | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) | Descriptor: | 3C-like proteinase | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | Deposit date: | 2003-07-25 | Release date: | 2003-11-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor Proc.Natl.Acad.Sci.USA, 100, 2003
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4PET
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![BU of 4pet by Molmil](/molmil-images/mine/4pet) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM COLWELLIA PSYCHRERYTHRAEA (CPS_0129, TARGET EFI-510097) WITH BOUND CALCIUM AND PYRUVATE | Descriptor: | CALCIUM ION, CHLORIDE ION, Extracellular solute-binding protein, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-24 | Release date: | 2014-05-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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6WGQ
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![BU of 6wgq by Molmil](/molmil-images/mine/6wgq) | The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-06 | Release date: | 2020-04-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T To Be Published
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7OK8
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![BU of 7ok8 by Molmil](/molmil-images/mine/7ok8) | |