1LDG
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![BU of 1ldg by Molmil](/molmil-images/mine/1ldg) | PLASMODIUM FALCIPARUM L-LACTATE DEHYDROGENASE COMPLEXED WITH NADH AND OXAMATE | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID | Authors: | Dunn, C, Banfield, M, Barker, J, Higham, C, Moreton, K, Turgut-Balik, D, Brady, L, Holbrook, J.J. | Deposit date: | 1996-09-10 | Release date: | 1997-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The structure of lactate dehydrogenase from Plasmodium falciparum reveals a new target for anti-malarial design. Nat.Struct.Biol., 3, 1996
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6HAR
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![BU of 6har by Molmil](/molmil-images/mine/6har) | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | Deposit date: | 2018-08-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J.Biol.Chem., 294, 2019
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8PF2
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![BU of 8pf2 by Molmil](/molmil-images/mine/8pf2) | |
8RI9
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![BU of 8ri9 by Molmil](/molmil-images/mine/8ri9) | Late alpha-Synuclein fibril structure from liquid-liquid phase separations. | Descriptor: | Alpha-synuclein | Authors: | De Simone, A, Barritt, J.D, Chen, S, Cascella, R, Cecchi, C, Bigi, A, Jarvis, J.A, Chiti, F, Dobson, C.M, Fusco, G. | Deposit date: | 2023-12-18 | Release date: | 2024-03-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-Toxicity Relationship in Intermediate Fibrils from alpha-Synuclein Condensates. J.Am.Chem.Soc., 146, 2024
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6J42
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![BU of 6j42 by Molmil](/molmil-images/mine/6j42) | Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena | Descriptor: | Alr3090 protein, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Bihani, S.C, Chakravarty, D, Ballal, A. | Deposit date: | 2019-01-07 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | Novel molecular insights into the anti-oxidative stress response and structure-function of a salt-inducible cyanobacterial Mn-catalase. Plant Cell Environ, 42, 2019
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6H09
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![BU of 6h09 by Molmil](/molmil-images/mine/6h09) | HIV capsid hexamer with IP6 ligand | Descriptor: | Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | Authors: | James, L.C. | Deposit date: | 2018-07-06 | Release date: | 2018-08-15 | Last modified: | 2020-10-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis. Elife, 7, 2018
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4L7V
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![BU of 4l7v by Molmil](/molmil-images/mine/4l7v) | Crystal structure of Protein L-isoaspartyl-O-methyltransferase of Vibrio cholerae | Descriptor: | ACETATE ION, CALCIUM ION, Protein-L-isoaspartate O-methyltransferase, ... | Authors: | Chatterjee, T, Mukherjee, D, Chakrabarti, P. | Deposit date: | 2013-06-14 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure and activity of protein L-isoaspartyl-O-methyltransferase from Vibrio cholerae, and the effect of AdoHcy binding. Arch.Biochem.Biophys., 583, 2015
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4CLB
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![BU of 4clb by Molmil](/molmil-images/mine/4clb) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | Authors: | Chung, C, Atkinson, S. | Deposit date: | 2014-01-13 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
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4DTG
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![BU of 4dtg by Molmil](/molmil-images/mine/4dtg) | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ... | Authors: | Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model. Blood, 119, 2012
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4NEA
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![BU of 4nea by Molmil](/molmil-images/mine/4nea) | 1.90 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 | Descriptor: | Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, POTASSIUM ION | Authors: | Halavaty, A.S, Minasov, G, Winsor, J, Dubrovska, I, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-10-28 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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4CL9
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![BU of 4cl9 by Molmil](/molmil-images/mine/4cl9) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | Authors: | Chung, C, Atkinson, S. | Deposit date: | 2014-01-13 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
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4NU9
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![BU of 4nu9 by Molmil](/molmil-images/mine/4nu9) | 2.30 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-free Cys289 | Descriptor: | Betaine aldehyde dehydrogenase, SODIUM ION | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Stam, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-12-03 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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4OON
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![BU of 4oon by Molmil](/molmil-images/mine/4oon) | Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid) | Descriptor: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A | Authors: | Han, S, Caspers, N, Knafels, J.D. | Deposit date: | 2014-02-03 | Release date: | 2014-05-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
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6ES8
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![BU of 6es8 by Molmil](/molmil-images/mine/6es8) | HIV capsid hexamer with IP6 ligand | Descriptor: | Gag protein, INOSITOL HEXAKISPHOSPHATE | Authors: | James, L.C. | Deposit date: | 2017-10-19 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis. Elife, 7, 2018
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6FDG
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![BU of 6fdg by Molmil](/molmil-images/mine/6fdg) | |
6EZ6
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![BU of 6ez6 by Molmil](/molmil-images/mine/6ez6) | PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate | Authors: | Convery, M.A, Campos, S, Dalton, S.E. | Deposit date: | 2017-11-14 | Release date: | 2017-12-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition. J. Am. Chem. Soc., 140, 2018
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4QTO
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![BU of 4qto by Molmil](/molmil-images/mine/4qto) | 1.65 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-modified Cys289 and PEG molecule in active site | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine aldehyde dehydrogenase, ... | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-07-08 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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4OOL
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![BU of 4ool by Molmil](/molmil-images/mine/4ool) | Crystal structure of PBP3 in complex with compound 14 ((2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid) | Descriptor: | (2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid, Cell division protein FtsI [Peptidoglycan synthetase] | Authors: | Han, S, Caspers, N, Knafels, J.D. | Deposit date: | 2014-02-03 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
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6EYZ
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![BU of 6eyz by Molmil](/molmil-images/mine/6eyz) | PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | Descriptor: | 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Convery, M.A, Campos, S, Dalton, S.E. | Deposit date: | 2017-11-13 | Release date: | 2017-12-20 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition. J. Am. Chem. Soc., 140, 2018
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1S6B
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![BU of 1s6b by Molmil](/molmil-images/mine/1s6b) | X-ray Crystal Structure of a Complex Formed Between Two Homologous Isoforms of Phospholipase A2 from Naja naja sagittifera: Principle of Molecular Association and Inactivation | Descriptor: | ACETIC ACID, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Jabeen, T, Sharma, S, Singh, R.K, Kaur, P, Singh, T.P. | Deposit date: | 2004-01-23 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a calcium-induced dimer of two isoforms of cobra phospholipase A2 at 1.6 A resolution. Proteins, 59, 2005
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7LSD
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![BU of 7lsd by Molmil](/molmil-images/mine/7lsd) | |
4Q92
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![BU of 4q92 by Molmil](/molmil-images/mine/4q92) | 1.90 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-modified Cys289 | Descriptor: | Betaine aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, SODIUM ION | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-04-28 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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1SV3
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![BU of 1sv3 by Molmil](/molmil-images/mine/1sv3) | Structure of the complex formed between Phospholipase A2 and 4-methoxybenzoic acid at 1.3A resolution. | Descriptor: | 4-METHOXYBENZOIC ACID, Phospholipase A2, SULFATE ION | Authors: | Singh, N, Prahathees, E, Jabeen, T, Pal, A, Ethayathulla, A.S, Prem kumar, R, Sharma, S, Singh, T.P. | Deposit date: | 2004-03-27 | Release date: | 2004-04-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structures of the complexes of a group IIA phospholipase A2 with two natural anti-inflammatory agents, anisic acid, and atropine reveal a similar mode of binding Proteins, 64, 2006
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4QN2
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![BU of 4qn2 by Molmil](/molmil-images/mine/4qn2) | 2.6 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) in complex with NAD+ and BME-free Cys289 | Descriptor: | ACETATE ION, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-06-17 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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4QJE
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![BU of 4qje by Molmil](/molmil-images/mine/4qje) | 1.85 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-free sulfinic acid form of Cys289 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine aldehyde dehydrogenase, ... | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-06-03 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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