1IKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ika by Molmil](/molmil-images/mine/1ika) | |
1BL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bl5 by Molmil](/molmil-images/mine/1bl5) | ISOCITRATE DEHYDROGENASE FROM E. COLI SINGLE TURNOVER LAUE STRUCTURE OF RATE-LIMITED PRODUCT COMPLEX, 10 MSEC TIME RESOLUTION | Descriptor: | 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION, ... | Authors: | Stoddard, B.L, Cohen, B, Brubaker, M, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1998-07-23 | Release date: | 1999-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs. Nat.Struct.Biol., 5, 1998
|
|
1AI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ai2 by Molmil](/molmil-images/mine/1ai2) | ISOCITRATE DEHYDROGENASE COMPLEXED WITH ISOCITRATE, NADP+, AND CALCIUM (FLASH-COOLED) | Descriptor: | ISOCITRATE CALCIUM COMPLEX, ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Stoddard, B.L, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1997-04-30 | Release date: | 1997-10-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences. Science, 277, 1997
|
|
1AI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ai3 by Molmil](/molmil-images/mine/1ai3) | ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCES | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ... | Authors: | Stoddard, B.L, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1997-04-30 | Release date: | 1997-11-12 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences. Science, 277, 1997
|
|
1D4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d4l by Molmil](/molmil-images/mine/1d4l) | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | Descriptor: | (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION | Authors: | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | Deposit date: | 1999-10-04 | Release date: | 2000-10-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease. J.Med.Chem., 43, 2000
|
|
1D4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d4k by Molmil](/molmil-images/mine/1d4k) | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | Descriptor: | HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION | Authors: | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | Deposit date: | 1999-10-04 | Release date: | 2000-10-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease. J.Med.Chem., 43, 2000
|
|
6CZG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6czg by Molmil](/molmil-images/mine/6czg) | |
6CZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6czj by Molmil](/molmil-images/mine/6czj) | |
3EH8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eh8 by Molmil](/molmil-images/mine/3eh8) | |
5JSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jsn by Molmil](/molmil-images/mine/5jsn) | Bcl2-inhibitor complex | Descriptor: | Apoptosis regulator Bcl-2, Bcl2 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-09 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
|
|
1T9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t9i by Molmil](/molmil-images/mine/1t9i) | I-CreI(D20N)/DNA complex | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*CP*G)-3', CALCIUM ION, ... | Authors: | Chevalier, B, Sussman, D, Otis, C, Boudreau, D, Turmel, M, Lemieux, C, Stephens, K, Monnat Jr, R.J, Stoddard, B.L. | Deposit date: | 2004-05-17 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Metal-Dependent DNA Cleavage Mechanism of the I-CreI LAGLIDADG Homing Endonuclease. Biochemistry, 43, 2004
|
|
4QQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qq8 by Molmil](/molmil-images/mine/4qq8) | Crystal structure of the formolase FLS in space group P 43 21 2 | Descriptor: | 1,2-ETHANEDIOL, Formolase, MAGNESIUM ION, ... | Authors: | Shen, B.W, Siegel, J.B, Stoddard, B.L. | Deposit date: | 2014-06-26 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Computational protein design enables a novel one-carbon assimilation pathway. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
1T9J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t9j by Molmil](/molmil-images/mine/1t9j) | I-CreI(Q47E)/DNA complex | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*CP*G)-3', DNA endonuclease I-CreI | Authors: | Chevalier, B, Sussman, D, Otis, C, Boudreau, D, Turmel, M, Lemieux, C, Stephens, K, Monnat Jr, R.J, Stoddard, B.L. | Deposit date: | 2004-05-17 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal-Dependent DNA Cleavage Mechanism of the I-CreI LAGLIDADG Homing Endonuclease. Biochemistry, 43, 2004
|
|
7T8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t8k by Molmil](/molmil-images/mine/7t8k) | BrxR from Acinetobacter BREX type I phage restriction system bound to DNA | Descriptor: | 1,2-ETHANEDIOL, BrxR, CHLORIDE ION, ... | Authors: | Doyle, L, Kaiser, B, Stoddard, B. | Deposit date: | 2021-12-16 | Release date: | 2022-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system. Nucleic Acids Res., 50, 2022
|
|
3E54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e54 by Molmil](/molmil-images/mine/3e54) | Archaeal Intron-encoded Homing Endonuclease I-Vdi141I Complexed With DNA | Descriptor: | DNA (5'-D(*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DTP*DCP*DTP*DTP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DGP*DGP*DCP*DTP*DAP*DCP*DCP*DTP*DTP*DAP*DA)-3'), DNA (5'-D(P*DGP*DAP*DGP*DAP*DGP*DTP*DCP*DAP*DG)-3'), ... | Authors: | Nomura, N, Nomura, Y, Sussman, D, Stoddard, B.L. | Deposit date: | 2008-08-13 | Release date: | 2008-12-30 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Recognition of a common rDNA target site in archaea and eukarya by analogous LAGLIDADG and His-Cys box homing endonucleases Nucleic Acids Res., 36, 2008
|
|
7T8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t8l by Molmil](/molmil-images/mine/7t8l) | BrxR from Acinetobacter BREX type I phage restriction system | Descriptor: | 1,2-ETHANEDIOL, BrxR, CHLORIDE ION | Authors: | Doyle, L, Kaiser, B, Stoddard, B. | Deposit date: | 2021-12-16 | Release date: | 2022-05-18 | Last modified: | 2022-06-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system. Nucleic Acids Res., 50, 2022
|
|
4R6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r6g by Molmil](/molmil-images/mine/4r6g) | |
4R5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r5d by Molmil](/molmil-images/mine/4r5d) | |
4R58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r58 by Molmil](/molmil-images/mine/4r58) | |
4R5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r5c by Molmil](/molmil-images/mine/4r5c) | |
4R6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r6f by Molmil](/molmil-images/mine/4r6f) | |
7SQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sq4 by Molmil](/molmil-images/mine/7sq4) | Designed trefoil knot protein, variant 2 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Designed trefoil knot protein, variant 2, ... | Authors: | Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P. | Deposit date: | 2021-11-04 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.493 Å) | Cite: | De novo design of knotted tandem repeat proteins. Nat Commun, 14, 2023
|
|
7SQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sq3 by Molmil](/molmil-images/mine/7sq3) | Designed trefoil knot protein, variant 1 | Descriptor: | CHLORIDE ION, Designed trefoil knot protein, variant 1, ... | Authors: | Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P. | Deposit date: | 2021-11-04 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.453 Å) | Cite: | De novo design of knotted tandem repeat proteins. Nat Commun, 14, 2023
|
|
6XR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xr2 by Molmil](/molmil-images/mine/6xr2) | |
4YIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yit by Molmil](/molmil-images/mine/4yit) | |