1W3T
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![BU of 1w3t by Molmil](/molmil-images/mine/1w3t) | Sulfolobus solfataricus 2-keto-3-deoxygluconate (KDG) aldolase complex with D-KDGal, D-Glyceraldehyde and pyruvate | Descriptor: | 2-KETO-3-DEOXY GLUCONATE ALDOLASE, 3-DEOXY-D-LYXO-HEXONIC ACID, D-Glyceraldehyde, ... | Authors: | Theodossis, A, Walden, H, Westwick, E.J, Connaris, H, Lamble, H.J, Hough, D.W, Danson, M.J, Taylor, G.L. | Deposit date: | 2004-07-19 | Release date: | 2004-09-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structural basis for substrate promiscuity in 2-keto-3-deoxygluconate aldolase from the Entner-Doudoroff pathway in Sulfolobus solfataricus. J. Biol. Chem., 279, 2004
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1W0R
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6DGJ
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5GL5
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![BU of 5gl5 by Molmil](/molmil-images/mine/5gl5) | |
1W1X
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![BU of 1w1x by Molmil](/molmil-images/mine/1w1x) | Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 277 K. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | Deposit date: | 2004-06-24 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites To be Published
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7R6J
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![BU of 7r6j by Molmil](/molmil-images/mine/7r6j) | Co-crystal structure of Chaetomium glucosidase with compound 1 | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-06-22 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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6DH2
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![BU of 6dh2 by Molmil](/molmil-images/mine/6dh2) | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass6 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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8KFI
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1W0N
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![BU of 1w0n by Molmil](/molmil-images/mine/1w0n) | Structure of uncomplexed Carbohydrate Binding Domain CBM36 | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE D, MAGNESIUM ION, ... | Authors: | Jamal, S, Boraston, A.B, Davies, G.J. | Deposit date: | 2004-06-09 | Release date: | 2004-10-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Ab Initio Structure Determination and Functional Characterization of Cbm36: A New Family of Calcium-Dependent Carbohydrate Binding Modules Structure, 12, 2004
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7R6B
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![BU of 7r6b by Molmil](/molmil-images/mine/7r6b) | Crystal structure of mutant R43D/L124D/R125A/C273S of L-Asparaginase I from Yersinia pestis | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, L-asparaginase I | Authors: | Strzelczyk, P, Wlodawer, A, Lubkowski, J. | Deposit date: | 2021-06-22 | Release date: | 2022-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The dimeric form of bacterial l-asparaginase YpAI is fully active. Febs J., 290, 2023
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7N42
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![BU of 7n42 by Molmil](/molmil-images/mine/7n42) | Crystal structure of the tandem bromodomain of human TAF1 (TAF1-T) bound to ZS1-681 | Descriptor: | 1,2-ETHANEDIOL, 6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, DIMETHYL SULFOXIDE, ... | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2021-06-03 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the tandem bromodomain of human TAF1 (TAF1-T) bound to ZS1-681 To Be Published
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7RP8
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8KFH
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6DIT
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![BU of 6dit by Molmil](/molmil-images/mine/6dit) | Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19) | Descriptor: | NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ... | Authors: | Matthew, A.N, Schiffer, C.A. | Deposit date: | 2018-05-23 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.789 Å) | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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5GNP
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![BU of 5gnp by Molmil](/molmil-images/mine/5gnp) | |
3LQU
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8KFJ
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6DNS
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![BU of 6dns by Molmil](/molmil-images/mine/6dns) | Endo-fucoidan hydrolase MfFcnA9 from glycoside hydrolase family 107 | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION | Authors: | Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B. | Deposit date: | 2018-06-07 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29. J. Biol. Chem., 293, 2018
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7R3B
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![BU of 7r3b by Molmil](/molmil-images/mine/7r3b) | S-adenosylmethionine synthetase from Lactobacillus plantarum complexed with AMPPNP, methionine and SAM | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, PHENYLALANINE, ... | Authors: | Shahar, A, Kleiner, D, Bershtein, S, Zarivach, R. | Deposit date: | 2022-02-07 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains. Protein Sci., 31, 2022
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7R2W
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![BU of 7r2w by Molmil](/molmil-images/mine/7r2w) | Mutant S-adenosylmethionine synthetase from E.coli complexed with AMPPNP and methionine | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Shahar, A, Kleiner, D, Bershtein, S, Zarivach, R. | Deposit date: | 2022-02-06 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains. Protein Sci., 31, 2022
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7NIF
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![BU of 7nif by Molmil](/molmil-images/mine/7nif) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 | Descriptor: | 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-12 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6DR6
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1VK2
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7NJ8
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![BU of 7nj8 by Molmil](/molmil-images/mine/7nj8) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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3L7F
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![BU of 3l7f by Molmil](/molmil-images/mine/3l7f) | Structure of IL-13 antibody H2L6, A humanized variant OF C836 | Descriptor: | CALCIUM ION, H2L6 HEAVY CHAIN, H2L6 LIGHT CHAIN, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | Deposit date: | 2009-12-28 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human framework adaptation of a mouse anti-human IL-13 antibody. J.Mol.Biol., 398, 2010
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