1GKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gkm by Molmil](/molmil-images/mine/1gkm) | |
1GKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gkj by Molmil](/molmil-images/mine/1gkj) | |
2WOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2woq by Molmil](/molmil-images/mine/2woq) | Porphobilinogen Synthase (HemB) in Complex with 5-acetamido-4- oxohexanoic acid (Alaremycin 2) | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALAREMYCIN 2, ... | Authors: | Heinemann, I.U, Schulz, C, Schubert, W.-D, Heinz, D.W, Wang, Y.-G, Kobayashi, Y, Awa, Y, Wachi, M, Jahn, D, Jahn, M. | Deposit date: | 2009-07-27 | Release date: | 2009-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the heme biosynthetic Pseudomonas aeruginosa porphobilinogen synthase in complex with the antibiotic alaremycin. Antimicrob. Agents Chemother., 54, 2010
|
|
5MTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mtk by Molmil](/molmil-images/mine/5mtk) | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2017-01-09 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Playing against the odds: scaffold hopping from 3D-fragments To Be Published
|
|
5MMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mmv by Molmil](/molmil-images/mine/5mmv) | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2016-12-12 | Release date: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) To Be Published
|
|
1M9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9y by Molmil](/molmil-images/mine/1m9y) | X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A,G89A Complex. | Descriptor: | Cyclophilin A, HIV-1 Capsid | Authors: | Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P. | Deposit date: | 2002-07-30 | Release date: | 2003-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the catalytic mechanism of cyclophilin A Nat.Struct.Biol., 10, 2003
|
|
1M9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9e by Molmil](/molmil-images/mine/1m9e) | X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type H87A Complex. | Descriptor: | Cyclophilin A, HIV-1 Capsid | Authors: | Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P. | Deposit date: | 2002-07-28 | Release date: | 2003-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural insights into the catalytic mechanism of cyclophilin A Nat.Struct.Biol., 10, 2003
|
|
3LT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lt5 by Molmil](/molmil-images/mine/3lt5) | X-ray Crystallographic structure of a Pseudomonas Aeruginosa Azoreductase in complex with balsalazide | Descriptor: | (3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ... | Authors: | Ryan, A, Laurieri, N, Westwood, I, Wang, C.-J, Lowe, E, Sim, E. | Deposit date: | 2010-02-15 | Release date: | 2010-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Novel Mechanism for Azoreduction J.Mol.Biol., 400, 2010
|
|
4AU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4au1 by Molmil](/molmil-images/mine/4au1) | Crystal Structure of CobH (precorrin-8x methyl mutase) complexed with C5 desmethyl-HBA | Descriptor: | DESMETHYL-HBA, PRECORRIN-8X METHYLMUTASE, SULFATE ION | Authors: | Deery, E, Lawrence, A.D, Schroeder, S, Taylor, S.L, Seyedarabi, A, Vevodova, J, Wilson, K.S, Brown, D, Geeves, M.A, Howard, M.J, Pickersgill, R.W, Warren, M.J. | Deposit date: | 2012-05-11 | Release date: | 2012-09-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | An Enzyme-Trap Approach Allows Isolation of Intermediates in Cobalamin Biosynthesis Nat.Chem.Biol., 8, 2012
|
|
1ADN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1adn by Molmil](/molmil-images/mine/1adn) | |
3DZG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dzg by Molmil](/molmil-images/mine/3dzg) | Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'-phosphate/nicotinamide complex | Descriptor: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | Deposit date: | 2008-07-29 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
|
|
3DZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dzf by Molmil](/molmil-images/mine/3dzf) | Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate, ara-F-ribose-5'-phosphate | Descriptor: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1 | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | Deposit date: | 2008-07-29 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
|
|
3DZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dzi by Molmil](/molmil-images/mine/3dzi) | Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex | Descriptor: | 2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside, ADP-ribosyl cyclase 1, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, ... | Authors: | Liu, Q, Kriksunov, I.A, Jiang, H, Graeff, R, Lin, H, Lee, H.C, Hao, Q. | Deposit date: | 2008-07-29 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol., 15, 2008
|
|
3HEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hea by Molmil](/molmil-images/mine/3hea) | The L29P/L124I mutation of Pseudomonas fluorescens esterase | Descriptor: | Arylesterase, ETHYL ACETATE, GLYCEROL, ... | Authors: | Kazlauskas, R.J, Schrag, J.D, Cheeseman, J.D, Morley, K.L. | Deposit date: | 2009-05-08 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase. Biochemistry, 49, 2010
|
|
7QBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbu by Molmil](/molmil-images/mine/7qbu) | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-methyl-5'-thioadenosine bound. | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CO-METHYLCOBALAMIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
|
|
7QBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbt by Molmil](/molmil-images/mine/7qbt) | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-methyl-5'-thioadenosine bound. | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CO-METHYLCOBALAMIN, FE (III) ION, ... | Authors: | Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
|
|
7QBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbs by Molmil](/molmil-images/mine/7qbs) | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, S-adenosyl-L-methionine, and peptide bound. | Descriptor: | CO-METHYLCOBALAMIN, FE (III) ION, IRON/SULFUR CLUSTER, ... | Authors: | Bernardo-Garcia, N, Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.327 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
|
|
7QBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbv by Molmil](/molmil-images/mine/7qbv) | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-adenosyl-L-homocysteine bound. | Descriptor: | CO-METHYLCOBALAMIN, FE (III) ION, IRON/SULFUR CLUSTER, ... | Authors: | Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
|
|
4MHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mht by Molmil](/molmil-images/mine/4mht) | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH NATIVE DNA AND ADOHCY | Descriptor: | DNA (5'-D(*GP*AP*TP*AP*GP*(5CM)P*GP*CP*TP*AP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*TP*AP*GP*(5CM)P*GP*CP*TP*AP*TP*C)-3'), PROTEIN (HHAI METHYLTRANSFERASE (E.C.2.1.1.73)), ... | Authors: | Cheng, X. | Deposit date: | 1996-07-24 | Release date: | 1997-01-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Enzymatic C5-cytosine methylation of DNA: mechanistic implications of new crystal structures for HhaL methyltransferase-DNA-AdoHcy complexes. J.Mol.Biol., 261, 1996
|
|
4LXI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lxi by Molmil](/molmil-images/mine/4lxi) | Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA | Descriptor: | (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION | Authors: | Bhowmik, S, Bolin, J.T. | Deposit date: | 2013-07-29 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase. Biochemistry, 52, 2013
|
|
4MLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mlj by Molmil](/molmil-images/mine/4mlj) | |
4O4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o4s by Molmil](/molmil-images/mine/4o4s) | Crystal structure of phycobiliprotein lyase CpcT complexed with phycocyanobilin (PCB) | Descriptor: | PHYCOCYANOBILIN, Phycocyanobilin lyase CpcT | Authors: | Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X. | Deposit date: | 2013-12-19 | Release date: | 2014-08-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mechanism of the Phycobiliprotein Lyase CpcT. J.Biol.Chem., 289, 2014
|
|
1LIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lie by Molmil](/molmil-images/mine/1lie) | |
1LIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lic by Molmil](/molmil-images/mine/1lic) | |
1M9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m9d by Molmil](/molmil-images/mine/1m9d) | X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) O-type chimera Complex. | Descriptor: | Cyclophilin A, HIV-1 Capsid | Authors: | Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P. | Deposit date: | 2002-07-28 | Release date: | 2003-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the catalytic mechanism of cyclophilin A Nat.Struct.Biol., 10, 2003
|
|