5K8K
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![BU of 5k8k by Molmil](/molmil-images/mine/5k8k) | Structure of the Haemophilus influenzae LpxH-lipid X complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, ACETATE ION, GLYCEROL, ... | Authors: | Cho, J, Lee, C.-J, Zhou, P. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis. Nat Microbiol, 1, 2016
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6PIB
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![BU of 6pib by Molmil](/molmil-images/mine/6pib) | Structure of the Klebsiella pneumoniae LpxH-AZ1 complex | Descriptor: | 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ... | Authors: | Cho, J, Zhou, P. | Deposit date: | 2019-06-26 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PH9
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![BU of 6ph9 by Molmil](/molmil-images/mine/6ph9) | Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Cho, J, Zhou, P. | Deposit date: | 2019-06-25 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PJ3
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![BU of 6pj3 by Molmil](/molmil-images/mine/6pj3) | Crystal structure of the Klebsiella pneumoniae LpxH/JH-LPH-33 complex | Descriptor: | 1,2-ETHANEDIOL, 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, ... | Authors: | Cho, J, Zhou, P. | Deposit date: | 2019-06-27 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics. Proc.Natl.Acad.Sci.USA, 117, 2020
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4TWC
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![BU of 4twc by Molmil](/molmil-images/mine/4twc) | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e | Descriptor: | 2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide, Casein kinase I isoform delta, DIMETHYL SULFOXIDE, ... | Authors: | Bischof, J, Leban, L, Zaja, M, Grothey, A, Radunsky, B, Othersen, O, Strobl, S, Vitt, D, Knippschild, U. | Deposit date: | 2014-06-30 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4-carboxamide derivatives as potent inhibitors of CK1d/e. Amino Acids, 43, 2012
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1FAP
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![BU of 1fap by Molmil](/molmil-images/mine/1fap) | THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP | Descriptor: | FK506-BINDING PROTEIN, FRAP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | Authors: | Choi, J, Chen, J, Schreiber, S.L, Clardy, J. | Deposit date: | 1996-03-15 | Release date: | 1997-07-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the FKBP12-rapamycin complex interacting with the binding domain of human FRAP. Science, 273, 1996
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4UBR
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![BU of 4ubr by Molmil](/molmil-images/mine/4ubr) | |
5Z8T
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![BU of 5z8t by Molmil](/molmil-images/mine/5z8t) | Flavin-containing monooxygenase | Descriptor: | Acyl-CoA dehydrogenase type 2 domain protein, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Choe, J, Moon, H, Shin, S. | Deposit date: | 2018-02-01 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure of putative Flavin-dependent monooxgenase To Be Published
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5IB0
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![BU of 5ib0 by Molmil](/molmil-images/mine/5ib0) | PA4534: acetyl CoA complex | Descriptor: | ACETYL COENZYME *A, GLYCEROL, Uncharacterized protein PA4534 | Authors: | Choe, J, Shin, S. | Deposit date: | 2016-02-22 | Release date: | 2017-03-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of PA4534 To Be Published
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1U3I
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![BU of 1u3i by Molmil](/molmil-images/mine/1u3i) | Crystal structure of glutathione S-tranferase from Schistosoma mansoni | Descriptor: | GLUTATHIONE, Glutathione S-transferase 28 kDa | Authors: | Chomilier, J, Vaney, M.C, Labesse, G, Trottein, F, Capron, A, Mormon, J.-P. | Deposit date: | 2004-07-22 | Release date: | 2005-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of Schistosoma mansoni glutathione S-transferase To be Published
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1A6G
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![BU of 1a6g by Molmil](/molmil-images/mine/1a6g) | CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | Deposit date: | 1998-02-25 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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5A62
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![BU of 5a62 by Molmil](/molmil-images/mine/5a62) | Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function | Descriptor: | ACETATE ION, PUTATIVE ALPHA/BETA HYDROLASE FOLD PROTEIN | Authors: | Chow, J, Kaljunen, H, Nittinger, E, Spieck, E, Rarey, M, Mueller-Dieckmann, J, Streit, W.R. | Deposit date: | 2015-06-24 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrolytic Potential of the Ammonia-Oxidizing Thaumarchaeon Nitrososphaera Gargenis - Crystal Structure and Activity Profiles of Carboxylesterases Linked to Their Metabolic Function To be Published
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4YH2
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1A6K
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![BU of 1a6k by Molmil](/molmil-images/mine/1a6k) | AQUOMET-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Vojtechovsky, J, Berendzen, J, Chu, K, Schlichting, I, Sweet, R.M. | Deposit date: | 1998-02-26 | Release date: | 1999-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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1A6M
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![BU of 1a6m by Molmil](/molmil-images/mine/1a6m) | OXY-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | Deposit date: | 1998-02-26 | Release date: | 1999-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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1A6N
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![BU of 1a6n by Molmil](/molmil-images/mine/1a6n) | DEOXY-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | Deposit date: | 1998-02-26 | Release date: | 1999-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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6HLO
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![BU of 6hlo by Molmil](/molmil-images/mine/6hlo) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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6HLP
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![BU of 6hlp by Molmil](/molmil-images/mine/6hlp) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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6HLL
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![BU of 6hll by Molmil](/molmil-images/mine/6hll) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994 | Descriptor: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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2P0M
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![BU of 2p0m by Molmil](/molmil-images/mine/2p0m) | Revised structure of rabbit reticulocyte 15S-lipoxygenase | Descriptor: | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID, Arachidonate 15-lipoxygenase, FE (II) ION | Authors: | Choi, J, Chon, J.K, Kim, S, Shin, W. | Deposit date: | 2007-02-28 | Release date: | 2007-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational flexibility in mammalian 15S-lipoxygenase: Reinterpretation of the crystallographic data. Proteins, 70, 2008
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2A4V
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![BU of 2a4v by Molmil](/molmil-images/mine/2a4v) | Crystal Structure of a truncated mutant of yeast nuclear thiol peroxidase | Descriptor: | Peroxiredoxin DOT5 | Authors: | Choi, J, Choi, S, Chon, J.-K, Choi, J, Cha, M.-K, Kim, I.-H, Shin, W. | Deposit date: | 2005-06-29 | Release date: | 2006-03-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the C107S/C112S mutant of yeast nuclear 2-Cys peroxiredoxin Proteins, 61, 2005
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4FBM
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![BU of 4fbm by Molmil](/molmil-images/mine/4fbm) | LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | Descriptor: | BROMIDE ION, LipS lipolytic enzyme | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovavic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | Deposit date: | 2012-05-23 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases. Plos One, 7, 2012
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4FBL
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![BU of 4fbl by Molmil](/molmil-images/mine/4fbl) | LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | Descriptor: | CHLORIDE ION, LipS lipolytic enzyme, SPERMIDINE | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovacic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | Deposit date: | 2012-05-23 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases. Plos One, 7, 2012
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1QXH
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![BU of 1qxh by Molmil](/molmil-images/mine/1qxh) | |
3F6F
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![BU of 3f6f by Molmil](/molmil-images/mine/3f6f) | |