6O54
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![BU of 6o54 by Molmil](/molmil-images/mine/6o54) | Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 (D25N) | Descriptor: | CHLORIDE ION, HIV-1 protease | Authors: | Wang, Y.-F, Brothers, R, Agniswamy, J, Weber, I.T. | Deposit date: | 2019-03-01 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega, 4, 2019
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1JB3
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2AUC
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![BU of 2auc by Molmil](/molmil-images/mine/2auc) | Structure of the Plasmodium MTIP-MyoA complex, a key component of the parasite invasion motor | Descriptor: | Myosin A, Myosin A Tail Interacting Protein | Authors: | Bosch, J, Turley, S, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2005-08-27 | Release date: | 2006-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the MTIP-MyoA complex, a key component of the malaria parasite invasion motor. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1DR5
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![BU of 1dr5 by Molmil](/molmil-images/mine/1dr5) | CRYSTAL STRUCTURES OF ORGANOMERCURIAL-ACTIVATED CHICKEN LIVER DIHYDROFOLATE REDUCTASE COMPLEXES | Descriptor: | CALCIUM ION, DIHYDROFOLATE REDUCTASE, MERCURY (II) ION, ... | Authors: | Mctigue, M.A, Davies /II, J.F, Kaufman, B.T, Xuong, N.-H, Kraut, J. | Deposit date: | 1992-03-14 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Organomercurial-Activated Chicken Liver Dihydrofolate Reductase Complexes To be Published
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2AVQ
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![BU of 2avq by Molmil](/molmil-images/mine/2avq) | Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, ... | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-30 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
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2AXA
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![BU of 2axa by Molmil](/molmil-images/mine/2axa) | Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With S-1 | Descriptor: | Androgen receptor, S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | Authors: | Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor J.Biol.Chem., 280, 2005
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2B31
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![BU of 2b31 by Molmil](/molmil-images/mine/2b31) | Crystal structure of the complex formed between goat signalling protein with pentasaccharide at 3.1 A resolution reveals large scale conformational changes in the residues of TIM barrel | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, ... | Authors: | Ethayathulla, A.S, Kumar, J, Srivastava, D.B, Singh, N, Sharma, S, Bhushan, A, Singh, T.P. | Deposit date: | 2005-09-19 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the complex formed between goat signalling protein with pentasaccharide at 3.1 A resolution reveals large scale conformational changes in the residues of TIM barrel TO BE PUBLISHED
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2AH1
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![BU of 2ah1 by Molmil](/molmil-images/mine/2ah1) | Crystal structure of aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis | Descriptor: | Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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3BA5
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2AJ3
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![BU of 2aj3 by Molmil](/molmil-images/mine/2aj3) | Crystal Structure of a Cross-Reactive HIV-1 Neutralizing CD4-Binding Site Antibody Fab m18 | Descriptor: | Fab m18, Heavy Chain, Light Chain, ... | Authors: | Prabakaran, P, Gan, J, Wu, Y.Q, Zhang, M.Y, Dimitrov, D.S, Ji, X. | Deposit date: | 2005-08-01 | Release date: | 2006-03-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural mimicry of CD4 by a cross-reactive HIV-1 neutralizing antibody with CDR-H2 and H3 containing unique motifs. J.Mol.Biol., 357, 2006
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3BAD
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6O5X
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![BU of 6o5x by Molmil](/molmil-images/mine/6o5x) | Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog CA-p2 | Descriptor: | CHLORIDE ION, HIV-1 protease PR-S17, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, ... | Authors: | Agniswamy, J, Wang, Y.-F, Weber, I.T. | Deposit date: | 2019-03-04 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega, 4, 2019
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3BBA
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![BU of 3bba by Molmil](/molmil-images/mine/3bba) | Structure of active wild-type Prevotella intermedia interpain A cysteine protease | Descriptor: | interpain A | Authors: | Mallorqui-Fernandez, N, Manandhar, S.P, Mallorqui-Fernandez, G, Uson, I, Wawrzonek, K, Kantyka, T, Sola, M, Thogersen, I.B, Enghild, J.J, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2007-11-09 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A New Autocatalytic Activation Mechanism for Cysteine Proteases Revealed by Prevotella intermedia Interpain A J.Biol.Chem., 283, 2008
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2AJL
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![BU of 2ajl by Molmil](/molmil-images/mine/2ajl) | X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor | Descriptor: | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | Authors: | Qiao, L, Baumann, C.A, Crysler, C.S, Ninan, N.S, Abad, M.C, Spurlino, J.C, DesJarlais, R.L, Kervinen, J, Neeper, M.P, Bayoumy, S.S. | Deposit date: | 2005-08-02 | Release date: | 2005-11-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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1Q03
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![BU of 1q03 by Molmil](/molmil-images/mine/1q03) | Crystal structure of FGF-1, S50G/V51G mutant | Descriptor: | Heparin-binding growth factor 1 | Authors: | Kim, J, Blaber, M. | Deposit date: | 2003-07-15 | Release date: | 2004-07-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Sequence swapping does not result in conformation swapping for the beta4/beta5 and beta8/beta9 beta-hairpin turns in human acidic fibroblast growth factor Protein Sci., 14, 2005
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3B5Z
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![BU of 3b5z by Molmil](/molmil-images/mine/3b5z) | Crystal Structure of MsbA from Salmonella typhimurium with ADP Vanadate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipid A export ATP-binding/permease protein msbA, VANADATE ION | Authors: | Ward, A, Reyes, C.L, Yu, J, Roth, C.B, Chang, G. | Deposit date: | 2007-10-26 | Release date: | 2007-12-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Flexibility in the ABC transporter MsbA: Alternating access with a twist. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2ALA
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![BU of 2ala by Molmil](/molmil-images/mine/2ala) | Crystal structure of the Semliki Forest Virus envelope protein E1 in its monomeric conformation. | Descriptor: | Structural polyprotein (P130) | Authors: | Roussel, A, Lescar, J, Vaney, M.C, Wengler, G, Wengler, G, Rey, F.A. | Deposit date: | 2005-08-05 | Release date: | 2006-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and interactions at the viral surface of the envelope protein E1 of Semliki Forest virus. Structure, 14, 2006
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3BEE
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![BU of 3bee by Molmil](/molmil-images/mine/3bee) | Crystal structure of putative YfrE protein from Vibrio parahaemolyticus | Descriptor: | 1,2-ETHANEDIOL, Putative YfrE protein | Authors: | Chang, C, Hatzos, C, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-11-16 | Release date: | 2007-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of putative YfrE protein from Vibrio parahaemolyticus. To be Published
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2AMB
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![BU of 2amb by Molmil](/molmil-images/mine/2amb) | Crystal structure of human androgen receptor ligand binding domain in complex with tetrahydrogestrinone | Descriptor: | 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R. | Deposit date: | 2005-08-09 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity. Protein Sci., 15, 2006
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2AOR
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![BU of 2aor by Molmil](/molmil-images/mine/2aor) | Crystal structure of MutH-hemimethylated DNA complex | Descriptor: | 5'-D(*CP*AP*GP*GP*(6MA)P*TP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*AP*TP*CP*CP*TP*G)-3', CALCIUM ION, DNA mismatch repair protein mutH | Authors: | Lee, J.Y, Chang, J, Joseph, N, Ghirlando, R, Rao, D.N, Yang, W. | Deposit date: | 2005-08-13 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | MutH complexed with hemi- and unmethylated DNAs: coupling base recognition and DNA cleavage. Mol.Cell, 20, 2005
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2AQ7
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![BU of 2aq7 by Molmil](/molmil-images/mine/2aq7) | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | Descriptor: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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3BA4
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![BU of 3ba4 by Molmil](/molmil-images/mine/3ba4) | |
3BAH
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![BU of 3bah by Molmil](/molmil-images/mine/3bah) | |
3BAO
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2AWO
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![BU of 2awo by Molmil](/molmil-images/mine/2awo) | Crystal structure of the ADP-Mg-bound E. Coli MALK (Crystallized with ADP-Mg) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Maltose/maltodextrin import ATP-binding protein malK | Authors: | Lu, G, Westbrooks, J.M, Davidson, A.L, Chen, J. | Deposit date: | 2005-09-01 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | ATP hydrolysis is required to reset the ATP-binding cassette dimer into the resting-state conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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