5C0K
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5c0k by Molmil](/molmil-images/mine/5c0k) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | Descriptor: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-12 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
1G1M
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1g1m by Molmil](/molmil-images/mine/1g1m) | ALL-FERROUS NITROGENASE IRON PROTEIN FROM AZOTOBACTER VINELANDII | Descriptor: | IRON/SULFUR CLUSTER, NITROGENASE IRON PROTEIN | Authors: | Strop, P, Takahara, P.M, Chiu, H.-J, Angove, H.C, Burgess, B.K, Rees, D.C. | Deposit date: | 2000-10-12 | Release date: | 2001-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the all-ferrous [4Fe-4S]0 form of the nitrogenase iron protein from Azotobacter vinelandii. Biochemistry, 40, 2001
|
|
1AIJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1aij by Molmil](/molmil-images/mine/1aij) | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | Authors: | Stowell, M.H.B, Mcphillips, T.M, Soltis, S.M, Rees, D.C, Abresch, E, Feher, G. | Deposit date: | 1997-04-18 | Release date: | 1997-10-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Light-induced structural changes in photosynthetic reaction center: implications for mechanism of electron-proton transfer. Science, 276, 1997
|
|
7N5A
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7n5a by Molmil](/molmil-images/mine/7n5a) | Structure of AtAtm3 in the closed conformation | Descriptor: | ABC transporter B family member 25, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Fan, C, Rees, D.C. | Deposit date: | 2021-06-05 | Release date: | 2022-04-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters. Elife, 11, 2022
|
|
7N5B
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7n5b by Molmil](/molmil-images/mine/7n5b) | Structure of AtAtm3 in the outward-facing conformation | Descriptor: | ABC transporter B family member 25, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Fan, C, Rees, D.C. | Deposit date: | 2021-06-05 | Release date: | 2022-04-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters. Elife, 11, 2022
|
|
5C7C
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5c7c by Molmil](/molmil-images/mine/5c7c) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | Descriptor: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
5C3H
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5c3h by Molmil](/molmil-images/mine/5c3h) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 | Descriptor: | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-17 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
5C7A
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5c7a by Molmil](/molmil-images/mine/5c7a) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | Descriptor: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2015-09-09 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
5BVG
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5bvg by Molmil](/molmil-images/mine/5bvg) | Selenium incorporated nitrogenase MoFe-protein (Av1-Se2B) from A. vinelandii | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, FE (II) ION, ... | Authors: | Spatzal, T, Perez, K.A, Howard, J.B, Rees, D.C. | Deposit date: | 2015-06-05 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Catalysis-dependent selenium incorporation and migration in the nitrogenase active site iron-molybdenum cofactor. Elife, 4, 2015
|
|
5C83
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5c83 by Molmil](/molmil-images/mine/5c83) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | Descriptor: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-25 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
5C0L
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5c0l by Molmil](/molmil-images/mine/5c0l) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 | Descriptor: | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-12 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
6N4L
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6n4l by Molmil](/molmil-images/mine/6n4l) | Dithionite-reduced ADP-bound form of the nitrogenase Fe-protein from A. vinelandii | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | Authors: | Wenke, B.B, Spatzal, T, Rees, D.C. | Deposit date: | 2018-11-19 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein. Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
6N4M
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6n4m by Molmil](/molmil-images/mine/6n4m) | IDS-oxidized ADP-bound form of the nitrogenase Fe-protein from A. vinelandii | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | Authors: | Wenke, B.B, Spatzal, T, Rees, D.C. | Deposit date: | 2018-11-19 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein. Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
6N4J
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6n4j by Molmil](/molmil-images/mine/6n4j) | |
6N4K
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6n4k by Molmil](/molmil-images/mine/6n4k) | |
8TC3
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8tc3 by Molmil](/molmil-images/mine/8tc3) | |
1HUX
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1hux by Molmil](/molmil-images/mine/1hux) | CRYSTAL STRUCTURE OF THE ACIDAMINOCOCCUS FERMENTANS (R)-2-HYDROXYGLUTARYL-COA DEHYDRATASE COMPONENT A | Descriptor: | ACTIVATOR OF (R)-2-HYDROXYGLUTARYL-COA DEHYDRATASE, ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER | Authors: | Locher, K.P, Hans, M, Yeh, A.P, Schmid, B, Buckel, W, Rees, D.C. | Deposit date: | 2001-01-04 | Release date: | 2001-03-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the Acidaminococcus fermentans 2-hydroxyglutaryl-CoA dehydratase component A. J.Mol.Biol., 307, 2001
|
|
5BVH
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5bvh by Molmil](/molmil-images/mine/5bvh) | CO-bound form of Selenium incorporated nitrogenase MoFe-protein (Av1-Se-CO) from A. vinelandii | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CARBON MONOXIDE, CHLORIDE ION, ... | Authors: | Spatzal, T, Perez, K.A, Howard, J.B, Rees, D.C. | Deposit date: | 2015-06-05 | Release date: | 2015-12-30 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Catalysis-dependent selenium incorporation and migration in the nitrogenase active site iron-molybdenum cofactor. Elife, 4, 2015
|
|
7N58
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7n58 by Molmil](/molmil-images/mine/7n58) | Structure of AtAtm3 in the inward-facing conformation | Descriptor: | ABC transporter B family member 25, mitochondrial | Authors: | Fan, C, Rees, D.C. | Deposit date: | 2021-06-05 | Release date: | 2022-04-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters. Elife, 11, 2022
|
|
4PKE
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4pke by Molmil](/molmil-images/mine/4pke) | The structure of a conserved Piezo channel domain reveals a novel beta sandwich fold | Descriptor: | PLATINUM (II) ION, Protein C10C5.1, isoform i | Authors: | Kamajaya, A, Kaiser, J, Lee, J, Reid, M, Rees, D.C. | Deposit date: | 2014-05-14 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Structure of a Conserved Piezo Channel Domain Reveals a Topologically Distinct beta Sandwich Fold. Structure, 22, 2014
|
|
4PKX
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4pkx by Molmil](/molmil-images/mine/4pkx) | The structure of a conserved Piezo channel domain reveals a novel beta sandwich fold | Descriptor: | Protein C10C5.1, isoform i | Authors: | Kamajaya, A, Kaiser, J, Lee, J, Reid, M, Rees, D.C. | Deposit date: | 2014-05-15 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | The Structure of a Conserved Piezo Channel Domain Reveals a Topologically Distinct beta Sandwich Fold. Structure, 22, 2014
|
|
1L0V
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1l0v by Molmil](/molmil-images/mine/1l0v) | Quinol-Fumarate Reductase with Menaquinol Molecules | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iverson, T.M, Luna-Chavez, C, Croal, L.R, Cecchini, G, Rees, D.C. | Deposit date: | 2002-02-13 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the quinol-binding site. J.Biol.Chem., 277, 2002
|
|
1QPG
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1qpg by Molmil](/molmil-images/mine/1qpg) | 3-PHOSPHOGLYCERATE KINASE, MUTATION R65Q | Descriptor: | 3-PHOSPHOGLYCERATE KINASE, 3-PHOSPHOGLYCERIC ACID, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE | Authors: | Mcphillips, T.M, Hsu, B.T, Sherman, M.A, Mas, M.T, Rees, D.C. | Deposit date: | 1996-01-04 | Release date: | 1996-06-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the R65Q mutant of yeast 3-phosphoglycerate kinase complexed with Mg-AMP-PNP and 3-phospho-D-glycerate. Biochemistry, 35, 1996
|
|
1R5X
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1r5x by Molmil](/molmil-images/mine/1r5x) | |
1KFY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1kfy by Molmil](/molmil-images/mine/1kfy) | QUINOL-FUMARATE REDUCTASE WITH QUINOL INHIBITOR 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL | Descriptor: | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Iverson, T.M, Luna-Chavez, C, Croal, L.R, Cecchini, G, Rees, D.C. | Deposit date: | 2001-11-24 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the
quinol-binding site. J.Biol.Chem., 277, 2002
|
|