4B4V
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![BU of 4b4v by Molmil](/molmil-images/mine/4b4v) | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899 | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | Deposit date: | 2012-08-01 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure. FEBS J., 279, 2012
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7C7N
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7CM8
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![BU of 7cm8 by Molmil](/molmil-images/mine/7cm8) | High resolution crystal structure of M92A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae | Descriptor: | Cysteine synthase, GLYCEROL, SODIUM ION | Authors: | Kaushik, A, Rahisuddin, R, Saini, N, Kumaran, S. | Deposit date: | 2020-07-25 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase. J.Biol.Chem., 296, 2020
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4ASY
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![BU of 4asy by Molmil](/molmil-images/mine/4asy) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-05-03 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4XN2
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4B2W
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![BU of 4b2w by Molmil](/molmil-images/mine/4b2w) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-07-18 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4BCX
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![BU of 4bcx by Molmil](/molmil-images/mine/4bcx) | gamma 2 adaptin EAR domain crystal structure | Descriptor: | 1,3-PROPANDIOL, AP-1 COMPLEX SUBUNIT GAMMA-LIKE 2, IMIDAZOLE | Authors: | Juergens, M.C, Voros, J, Rautureau, G, Shepherd, D, Pye, V.E, Muldoon, J, Johnson, C.M, Ashcroft, A, Freund, S.M.V, Ferguson, N. | Deposit date: | 2012-10-03 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Hepatitis B Virus Pres1 Domain Hijacks Host Trafficking Proteins by Motif Mimicry. Nat.Chem.Biol., 9, 2013
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4XN4
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2Y7X
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![BU of 2y7x by Molmil](/molmil-images/mine/2y7x) | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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7CI4
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![BU of 7ci4 by Molmil](/molmil-images/mine/7ci4) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7C2W
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4XN7
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7CI9
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![BU of 7ci9 by Molmil](/molmil-images/mine/7ci9) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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4KQ3
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![BU of 4kq3 by Molmil](/molmil-images/mine/4kq3) | Crystal structure of Anti-IL-17A antibody CNTO3186 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CNTO3186 heavy chain, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | Deposit date: | 2013-05-14 | Release date: | 2014-03-26 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural evidence for a constrained conformation of short CDR-L3 in antibodies. Proteins, 82, 2014
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4XND
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7CI5
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![BU of 7ci5 by Molmil](/molmil-images/mine/7ci5) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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4K14
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4B4W
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![BU of 4b4w by Molmil](/molmil-images/mine/4b4w) | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and an inhibitor | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | Deposit date: | 2012-08-01 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure. FEBS J., 279, 2012
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4KL7
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![BU of 4kl7 by Molmil](/molmil-images/mine/4kl7) | Crystal structure of the catalytic domain of RpfB from Mycobacterium tuberculosis | Descriptor: | Resuscitation-promoting factor RpfB, SULFATE ION | Authors: | Squeglia, F, Romano, M, Ruggiero, A, Berisio, R. | Deposit date: | 2013-05-07 | Release date: | 2013-06-26 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbohydrate Recognition by RpfB from Mycobacterium tuberculosis Unveiled by Crystallographic and Molecular Dynamics Analyses. Biophys.J., 104, 2013
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2YKD
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![BU of 2ykd by Molmil](/molmil-images/mine/2ykd) | Structure of the matrix protein from human respiratory syncytial virus | Descriptor: | ACETATE ION, MATRIX PROTEIN | Authors: | McPhee, H.K, Carlisle, J.L, Beeby, A, Money, V.A, Watson, S.M.D, Yeo, R.P, Sanderson, J.M. | Deposit date: | 2011-05-26 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Influence of Lipids on the Interfacial Disposition of Respiratory Syncytical Virus Matrix Protein. Langmuir, 27, 2011
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4B42
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![BU of 4b42 by Molmil](/molmil-images/mine/4b42) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-07-27 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.505 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4KSS
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![BU of 4kss by Molmil](/molmil-images/mine/4kss) | Crystal Structure of Vibrio cholerae ATPase GspsE Hexamer | Descriptor: | Type II secretion system protein E, hemolysin-coregulated protein | Authors: | Hol, W.G, Turley, S, Lu, C.Y, Park, Y.J. | Deposit date: | 2013-05-17 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (7.58 Å) | Cite: | Hexamers of the Type II Secretion ATPase GspE from Vibrio cholerae with Increased ATPase Activity. Structure, 21, 2013
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4K3O
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![BU of 4k3o by Molmil](/molmil-images/mine/4k3o) | E. coli sliding clamp in complex with AcQADLF | Descriptor: | (ACE)QADLF, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-04-11 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
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2YB7
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![BU of 2yb7 by Molmil](/molmil-images/mine/2yb7) | CBM62 in complex with 6-alpha-D-Galactosyl-mannotriose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ... | Authors: | Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, McKee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2011-03-02 | Release date: | 2011-08-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization. J.Biol.Chem., 286, 2011
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4XMU
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