7ICS
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7ICH
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7ICR
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7JGN
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![BU of 7jgn by Molmil](/molmil-images/mine/7jgn) | Crystal Structure of the Zn-bound Human Heavy-chain variant 122H-delta C-star with meta-benzenedihyrdoxamate collected at 100K | Descriptor: | Ferritin heavy chain, N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide, SODIUM ION, ... | Authors: | Bailey, J.B, Tezcan, F.A. | Deposit date: | 2020-07-19 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc., 142, 2020
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7ICE
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7ICO
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7ICN
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5SW6
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5SX0
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5SXT
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5SX7
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![BU of 5sx7 by Molmil](/molmil-images/mine/5sx7) | Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes. Biochemistry, 45, 2006
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5SYX
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5T1W
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![BU of 5t1w by Molmil](/molmil-images/mine/5t1w) | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, CHLORIDE ION, ... | Authors: | Parris, K.D, Vajdos, F. | Deposit date: | 2016-08-22 | Release date: | 2017-01-11 | Last modified: | 2017-01-25 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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6Y6Y
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![BU of 6y6y by Molmil](/molmil-images/mine/6y6y) | Pseudomonas stutzeri nitrous oxide reductase mutant, H129A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-27 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y7E
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![BU of 6y7e by Molmil](/molmil-images/mine/6y7e) | Pseudomonas stutzeri nitrous oxide reductase mutant, H494A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-28 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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3WSU
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![BU of 3wsu by Molmil](/molmil-images/mine/3wsu) | Crystal structure of beta-mannanase from Streptomyces thermolilacinus | Descriptor: | Beta-mannanase, GLYCEROL, SODIUM ION | Authors: | Kumagai, Y, Yamashita, K, Okuyama, M, Hatanaka, T, Yao, M, Kimura, A. | Deposit date: | 2014-03-26 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition Febs J., 282, 2015
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5TRD
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![BU of 5trd by Molmil](/molmil-images/mine/5trd) | Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*TP*AP*CP*TP*AP*AP*TP*TP*CP*AP*CP*GP*AP*GP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*AP*CP*TP*CP*GP*TP*GP*AP*AP*TP*TP*AP*GP*TP*AP*A)-3'), ... | Authors: | Vetting, M.W, Rodionova, I.A, Li, X, Osterman, A.L, Rodionov, D.A, Almo, S.C. | Deposit date: | 2016-10-26 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator To be published
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5TXU
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![BU of 5txu by Molmil](/molmil-images/mine/5txu) | 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (SpoIID) from Clostridium difficile in Apo Conformation | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Nocadello, S, Minasov, G, Kiryukhina, O, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-11-17 | Release date: | 2016-12-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (SpoIID) from Clostridium difficile in Apo Conformation To Be Published
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6XYX
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6XRO
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8UAS
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![BU of 8uas by Molmil](/molmil-images/mine/8uas) | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a | Descriptor: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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5U8G
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![BU of 5u8g by Molmil](/molmil-images/mine/5u8g) | DNA Polymerase Beta crystallized in PEG 400 | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Eckenroth, B.E, Doublie, S. | Deposit date: | 2016-12-14 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.166 Å) | Cite: | Remote Mutations Induce Functional Changes in Active Site Residues of Human DNA Polymerase beta. Biochemistry, 56, 2017
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5UCK
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![BU of 5uck by Molmil](/molmil-images/mine/5uck) | Class II fructose-1,6-bisphosphate aldolase of Helicobacter pylori with cleavage products | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ... | Authors: | Jacques, B, Sygusch, J. | Deposit date: | 2016-12-22 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases. J. Biol. Chem., 293, 2018
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7N3N
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![BU of 7n3n by Molmil](/molmil-images/mine/7n3n) | CryoEM structure of human NKCC1 state Fu-I | Descriptor: | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Solute carrier family 12 member 2 | Authors: | Moseng, M.A. | Deposit date: | 2021-06-01 | Release date: | 2022-09-28 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling. Sci Adv, 8, 2022
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5SX6
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![BU of 5sx6 by Molmil](/molmil-images/mine/5sx6) | Crystal structure of the catalase-peroxidase KatG of B. pseudomallei at pH 6.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes. Biochemistry, 45, 2006
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