8OXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oxp by Molmil](/molmil-images/mine/8oxp) | ATM(Q2971A) in complex with Mg AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
|
|
3F2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f2v by Molmil](/molmil-images/mine/3f2v) | Crystal structure of the general stress protein 14 (TDE0354) in complex with FMN from Treponema denticola, Northeast Structural Genomics Consortium Target TdR58. | Descriptor: | FLAVIN MONONUCLEOTIDE, General stress protein 14 | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Janjua, H, Sahdev, S, Xiao, R, Ciccosanti, C, Foote, E.L, Belote, R.L, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-10-30 | Release date: | 2008-11-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the general stress protein 14 (TDE0354) in complex with FMN from Treponema denticola, Northeast Structural Genomics Consortium Target TdR58. To be Published
|
|
1C3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c3i by Molmil](/molmil-images/mine/1c3i) | HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 | Descriptor: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ... | Authors: | Steele, D.L, Kammlott, R.U, Crowther, R.L, Birktoft, J.J, Dunten, P, Engler, J.E. | Deposit date: | 1999-07-27 | Release date: | 2000-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1. Protein Eng., 13, 2000
|
|
8OXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oxq by Molmil](/molmil-images/mine/8oxq) | ATM(Q2971A) dimeric C-terminal region in complex with Mg AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
|
|
8OXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oxm by Molmil](/molmil-images/mine/8oxm) | ATM(Q2971A) activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide | Descriptor: | Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
|
|
8OXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oxo by Molmil](/molmil-images/mine/8oxo) | ATM(Q2971A) dimeric C-terminal region activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide | Descriptor: | Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Howes, A.C, Perisic, O, Williams, R.L. | Deposit date: | 2023-05-02 | Release date: | 2023-09-27 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress. Sci Adv, 9, 2023
|
|
3DRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3drm by Molmil](/molmil-images/mine/3drm) | 2.2 Angstrom Crystal Structure of Thr114Phe Alpha1-Antitrypsin | Descriptor: | Alpha-1-antitrypsin | Authors: | Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E. | Deposit date: | 2008-07-11 | Release date: | 2009-03-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design. J.Mol.Biol., 387, 2009
|
|
1BS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bs0 by Molmil](/molmil-images/mine/1bs0) | PLP-DEPENDENT ACYL-COA SYNTHASE | Descriptor: | PROTEIN (8-AMINO-7-OXONANOATE SYNTHASE), SULFATE ION | Authors: | Alexeev, D, Alexeeva, M, Baxter, R.L, Campopiano, D.J, Webster, S.P, Sawyer, L. | Deposit date: | 1998-08-31 | Release date: | 1999-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structure of 8-amino-7-oxononanoate synthase: a bacterial PLP-dependent, acyl-CoA-condensing enzyme. J.Mol.Biol., 284, 1998
|
|
1BP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bp4 by Molmil](/molmil-images/mine/1bp4) | USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN | Authors: | Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. | Deposit date: | 1998-08-12 | Release date: | 1999-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J.Med.Chem., 41, 1998
|
|
2JMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jmv by Molmil](/molmil-images/mine/2jmv) | |
2JEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jei by Molmil](/molmil-images/mine/2jei) | The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*T)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P. | Deposit date: | 2007-01-17 | Release date: | 2007-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing. J.Biol.Chem., 282, 2007
|
|
2JEF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jef by Molmil](/molmil-images/mine/2jef) | The Molecular Basis of Selectivity of Nucleotide Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state and X-Ray Crystallography of Correct and Incorrect Pairing | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*BZGP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP CP*CP*C)-3', ... | Authors: | Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P. | Deposit date: | 2007-01-17 | Release date: | 2007-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing. J.Biol.Chem., 282, 2007
|
|
8UPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8upi by Molmil](/molmil-images/mine/8upi) | Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine | Descriptor: | 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ... | Authors: | Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J. | Deposit date: | 2023-10-22 | Release date: | 2023-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Characterization of a Bacterial Periplasmic Solute Binding Protein That Binds l-Amino Acid Amides. Biochemistry, 63, 2024
|
|
3FVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fvw by Molmil](/molmil-images/mine/3fvw) | Crystal structure of the Q8DWD8_STRMU protein from Streptococcus mutans. Northeast Structural Genomics Consortium target SmR99. | Descriptor: | Putative NAD(P)H-dependent FMN reductase | Authors: | Vorobiev, S.M, Abashidze, M, Belote, R.L, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-01-16 | Release date: | 2009-02-10 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the Q8DWD8_STRMU protein from Streptococcus mutans. To be Published
|
|
3G1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g1g by Molmil](/molmil-images/mine/3g1g) | |
1C8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c8t by Molmil](/molmil-images/mine/1c8t) | HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 | Descriptor: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ... | Authors: | Steele, D.L, el-Kabbani, O, Dunten, P, Crowther, R.L. | Deposit date: | 1999-07-29 | Release date: | 2000-07-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1. Protein Eng., 13, 2000
|
|
2I25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i25 by Molmil](/molmil-images/mine/2i25) | |
2J19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j19 by Molmil](/molmil-images/mine/2j19) | Ferrous Chloroperoxidase (high dose data set) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Beitlich, T, Kuhnel, K, Schulze-Briese, C, Shoeman, R.L, Schlichting, I. | Deposit date: | 2006-08-09 | Release date: | 2006-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cryoradiolytic Reduction of Crystalline Heme Proteins: Analysis by Uv-Vis Spectroscopy and X-Ray Crystallography J.Synchrotron Radiat., 14, 2007
|
|
1CS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cs7 by Molmil](/molmil-images/mine/1cs7) | SYNTHETIC DNA HAIRPIN WITH STILBENEDIETHER LINKER | Descriptor: | 5'-D(GP*(BRU)P*TP*TP*TP*GP*(S02)*CP*AP*AP*AP*AP*C)-3', STRONTIUM ION | Authors: | Lewis, F.D, Liu, X, Wu, Y, Miller, S.E, Wasielewski, M.R, Letsinger, R.L, Sanishvili, R, Joachimiak, A, Tereshko, V, Egli, M. | Deposit date: | 1999-08-17 | Release date: | 2001-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and Photoinduced Electron Transfer in Exceptionally Stable Synthetic DNA Hairpins with Stilbenediether Linkers J.Am.Chem.Soc., 121, 1999
|
|
8UQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uqz by Molmil](/molmil-images/mine/8uqz) | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ... | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | Deposit date: | 2023-10-25 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase. Acta Crystallogr D Struct Biol, 80, 2024
|
|
2J18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j18 by Molmil](/molmil-images/mine/2j18) | Chloroperoxidase mixture of ferric and ferrous states (low dose data set) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Beitlich, T, Kuhnel, K, Schulze-Briese, C, Shoeman, R.L, Schlichting, I. | Deposit date: | 2006-08-09 | Release date: | 2006-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cryoradiolytic Reduction of Crystalline Heme Proteins: Analysis by Uv-Vis Spectroscopy and X-Ray Crystallography J.Synchrotron Radiat., 14, 2007
|
|
8UQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uqx by Molmil](/molmil-images/mine/8uqx) | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | Deposit date: | 2023-10-25 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8UQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uqw by Molmil](/molmil-images/mine/8uqw) | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | Deposit date: | 2023-10-25 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase. Acta Crystallogr D Struct Biol, 80, 2024
|
|
3G0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g0v by Molmil](/molmil-images/mine/3g0v) | |
8UQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uqy by Molmil](/molmil-images/mine/8uqy) | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | Deposit date: | 2023-10-25 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase. Acta Crystallogr D Struct Biol, 80, 2024
|
|