1E0P
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![BU of 1e0p by Molmil](/molmil-images/mine/1e0p) | L intermediate of bacteriorhodopsin | Descriptor: | BACTERIORHODOPSIN, GROUND STATE, RETINAL | Authors: | Royant, A, Edman, K, Ursby, T, Pebay-Peyroula, E, Landau, E.M, Neutze, R. | Deposit date: | 2000-04-04 | Release date: | 2000-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Helix Deformation is Coupled to Vectorial Proton Transport in Bacteriorhodopsin'S Photocycle Nature, 406, 2000
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1DQI
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![BU of 1dqi by Molmil](/molmil-images/mine/1dqi) | CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE FROM P. FURIOSUS IN THE OXIDIZED STATE AT 1.7 ANGSTROMS RESOLUTION | Descriptor: | FE (III) ION, SUPEROXIDE REDUCTASE | Authors: | Yeh, A.P, Hu, Y, Jenney Jr, F.E, Adams, M.W.W, Rees, D.C. | Deposit date: | 2000-01-04 | Release date: | 2000-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the superoxide reductase from Pyrococcus furiosus in the oxidized and reduced states. Biochemistry, 39, 2000
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1DV6
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![BU of 1dv6 by Molmil](/molmil-images/mine/1dv6) | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR ZN2+ | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CHLORIDE ION, ... | Authors: | Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G. | Deposit date: | 2000-01-19 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Determination of the binding sites of the proton transfer inhibitors Cd2+ and Zn2+ in bacterial reaction centers. Proc.Natl.Acad.Sci.USA, 97, 2000
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1DG9
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![BU of 1dg9 by Molmil](/molmil-images/mine/1dg9) | CRYSTAL STRUCTURE OF BOVINE LOW MOLECULAR WEIGHT PTPASE COMPLEXED WITH HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TYROSINE PHOSPHATASE | Authors: | Zhang, M, Zhou, M, Van Etten, R.L, Stauffacher, C.V. | Deposit date: | 1999-11-23 | Release date: | 1999-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of bovine low molecular weight phosphotyrosyl phosphatase complexed with the transition state analog vanadate. Biochemistry, 36, 1997
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1DS8
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![BU of 1ds8 by Molmil](/molmil-images/mine/1ds8) | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR CD2+ | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CADMIUM ION, ... | Authors: | Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G. | Deposit date: | 2000-01-07 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Determination of the binding sites of the proton transfer inhibitors Cd2+ and Zn2+ in bacterial reaction centers. Proc.Natl.Acad.Sci.USA, 97, 2000
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1DTN
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1DJA
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1CIJ
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![BU of 1cij by Molmil](/molmil-images/mine/1cij) | HALOALKANE DEHALOGENASE SOAKED WITH HIGH CONCENTRATION OF BROMIDE | Descriptor: | BROMIDE ION, PROTEIN (HALOALKANE DEHALOGENASE) | Authors: | Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W. | Deposit date: | 1999-03-31 | Release date: | 1999-09-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic and kinetic evidence of a collision complex formed during halide import in haloalkane dehalogenase. Biochemistry, 38, 1999
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1D7M
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![BU of 1d7m by Molmil](/molmil-images/mine/1d7m) | COILED-COIL DIMERIZATION DOMAIN FROM CORTEXILLIN I | Descriptor: | CORTEXILLIN I | Authors: | Burkhard, P, Kammerer, R.A, Steinmetz, M.O, Bourenkov, G.P, Aebi, U. | Deposit date: | 1999-10-19 | Release date: | 2000-03-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The coiled-coil trigger site of the rod domain of cortexillin I unveils a distinct network of interhelical and intrahelical salt bridges. Structure Fold.Des., 8, 2000
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1CLF
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![BU of 1clf by Molmil](/molmil-images/mine/1clf) | CLOSTRIDIUM PASTEURIANUM FERREDOXIN | Descriptor: | FERREDOXIN, IRON/SULFUR CLUSTER | Authors: | Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H. | Deposit date: | 1995-06-21 | Release date: | 1996-01-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum. Eur.J.Biochem., 232, 1995
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1DZN
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![BU of 1dzn by Molmil](/molmil-images/mine/1dzn) | Asp170Ser mutant of vanillyl-alcohol oxidase | Descriptor: | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE | Authors: | Van Den heuvel, R.H.H, Fraaije, M.W, Van Berkel, W.J.H, Mattevi, A. | Deposit date: | 2000-03-05 | Release date: | 2000-03-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Asp170 is Crucial for the Redox Properties of Vanillyl-Alcohol Oxidase J.Biol.Chem., 275, 2000
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1E2P
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![BU of 1e2p by Molmil](/molmil-images/mine/1e2p) | Thymidine kinase, DHBT | Descriptor: | 6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE, SULFATE ION, THYMIDINE KINASE | Authors: | Schulz, G.E, Kessler, U. | Deposit date: | 2000-05-23 | Release date: | 2001-04-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase Protein Sci., 10, 2001
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1E2N
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![BU of 1e2n by Molmil](/molmil-images/mine/1e2n) | HPT + HMTT | Descriptor: | 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2001-03-31 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase Protein Sci., 10, 2001
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1EQG
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![BU of 1eqg by Molmil](/molmil-images/mine/1eqg) | THE 2.6 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH IBUPROFEN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, PROSTAGLANDIN H2 SYNTHASE-1, ... | Authors: | Loll, P.J, Selinsky, B.S, Gupta, K, Sharkey, C.T. | Deposit date: | 2000-04-04 | Release date: | 2001-04-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations. Biochemistry, 40, 2001
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1ELZ
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![BU of 1elz by Molmil](/molmil-images/mine/1elz) | E. COLI ALKALINE PHOSPHATASE MUTANT (S102G) | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | Deposit date: | 1998-02-10 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102. J.Mol.Biol., 277, 1998
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9BNQ
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![BU of 9bnq by Molmil](/molmil-images/mine/9bnq) | N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ... | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | Deposit date: | 2024-05-02 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments. Chemmedchem, 2024
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9BNR
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![BU of 9bnr by Molmil](/molmil-images/mine/9bnr) | 4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor | Descriptor: | Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | Deposit date: | 2024-05-02 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments. Chemmedchem, 2024
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1HTZ
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![BU of 1htz by Molmil](/molmil-images/mine/1htz) | CRYSTAL STRUCTURE OF TEM52 BETA-LACTAMASE | Descriptor: | BETA-LACTAMASE MUTANT TEM52 | Authors: | Stevens, R.C, Orencia, M.C. | Deposit date: | 2001-01-03 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Predicting the emergence of antibiotic resistance by directed evolution and structural analysis. Nat.Struct.Biol., 8, 2001
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1IB0
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1IE0
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![BU of 1ie0 by Molmil](/molmil-images/mine/1ie0) | CRYSTAL STRUCTURE OF LUXS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, GLYCEROL, ZINC ION | Authors: | Hilgers, M.T, Ludwig, M.L. | Deposit date: | 2001-04-05 | Release date: | 2001-10-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the quorum-sensing protein LuxS reveals a catalytic metal site. Proc.Natl.Acad.Sci.USA, 98, 2001
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5Q0P
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![BU of 5q0p by Molmil](/molmil-images/mine/5q0p) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q16
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![BU of 5q16 by Molmil](/molmil-images/mine/5q16) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q19
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![BU of 5q19 by Molmil](/molmil-images/mine/5q19) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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8HRD
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![BU of 8hrd by Molmil](/molmil-images/mine/8hrd) | Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ... | Authors: | Zhao, R.C, Wu, L.L, Han, P. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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6S0V
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![BU of 6s0v by Molmil](/molmil-images/mine/6s0v) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, neamine and sulfate | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, NICKEL (II) ION, ... | Authors: | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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