1NG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ng3 by Molmil](/molmil-images/mine/1ng3) | Complex of ThiO (glycine oxidase) with acetyl-glycine | Descriptor: | ACETYLAMINO-ACETIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Glycine oxidase, ... | Authors: | Settembre, E.C, Dorrestein, P.C, Park, J, Augustine, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2002-12-16 | Release date: | 2003-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Mechanistic Studies on ThiO, a Glycine Oxidase Essential for Thiamin Biosynthesis in Bacillus subtilis Biochemistry, 42, 2003
|
|
5KN7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kn7 by Molmil](/molmil-images/mine/5kn7) | Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ... | Authors: | Dovala, D.L, Hu, Q, Metzger IV, L.E. | Deposit date: | 2016-06-27 | Release date: | 2016-09-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
7BHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bhq by Molmil](/molmil-images/mine/7bhq) | |
3LIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lik by Molmil](/molmil-images/mine/3lik) | Human MMP12 in complex with non-zinc chelating inhibitor | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F. | Deposit date: | 2010-01-25 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J.Biol.Chem., 285, 2010
|
|
1NGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ngw by Molmil](/molmil-images/mine/1ngw) | Chimeric Affinity Matured Fab 7g12 complexed with mesoporphyrin | Descriptor: | Mature Metal Chelatase Catalytic Antibody, Heavy chain, Light chain, ... | Authors: | Yin, J, Andryski, S.E, Beuscher IV, A.E, Stevens, R.C, Schultz, P.G. | Deposit date: | 2002-12-18 | Release date: | 2003-02-04 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural evidence for substrate strain in antibody catalysis Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
5CNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cnc by Molmil](/molmil-images/mine/5cnc) | Ultrafast dynamics in myoglobin: 0.6 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
|
|
8SCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8scx by Molmil](/molmil-images/mine/8scx) | |
4E1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e1c by Molmil](/molmil-images/mine/4e1c) | Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ADP and Mg++ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C. | Deposit date: | 2012-03-06 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and functional characterization of the Vibrio cholerae toxin
from the VgrG/MARTX family. J.Biol.Chem., 2012
|
|
4QVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qvn by Molmil](/molmil-images/mine/4qvn) | yCP beta5-M45V mutant in complex with bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-15 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
|
|
5KPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kpy by Molmil](/molmil-images/mine/5kpy) | Structure of a 5-hydroxytryptophan aptamer | Descriptor: | 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ... | Authors: | Batey, R.T, Porter, E, Merck, M. | Deposit date: | 2016-07-05 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors. Nat. Chem. Biol., 13, 2017
|
|
4QWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qwf by Molmil](/molmil-images/mine/4qwf) | yCP beta5-M45I mutant in complex with carfilzomib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-16 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
|
|
2R69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r69 by Molmil](/molmil-images/mine/2r69) | Crystal structure of Fab 1A1D-2 complexed with E-DIII of Dengue virus at 3.8 angstrom resolution | Descriptor: | Heavy chain of 1A1D-2, Light chain of 1A1D-2, Major envelope protein E | Authors: | Lok, S.M, Kostyuchenko, V.K, Nybakken, G.E, Holdaway, H.A, Battisti, A.J, Sukupolvi-petty, S, Sedlak, D, Fremont, D.H, Chipman, P.R, Roehrig, J.T, Diamond, M.S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2007-09-05 | Release date: | 2007-12-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins. Nat.Struct.Mol.Biol., 15, 2008
|
|
4KFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kfd by Molmil](/molmil-images/mine/4kfd) | Crystal structure of Hansenula polymorpha copper amine oxidase-1 reduced by methylamine at pH 6.0 | Descriptor: | COPPER (II) ION, GLYCEROL, HYDROGEN PEROXIDE, ... | Authors: | Johnson, B.J, Yukl, E.T, Klema, V.J, Wilmot, C.M. | Deposit date: | 2013-04-26 | Release date: | 2013-08-21 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural evidence for the semiquinone in a copper amine oxidase from Hansenula polymorpha: implications for the catalytic mechanism J.Biol.Chem., 2013
|
|
4DD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dd8 by Molmil](/molmil-images/mine/4dd8) | ADAM-8 metalloproteinase domain with bound batimastat | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hall, T, Shieh, H.S, Day, J.E, Caspers, N, Chrencik, J.E, Williams, J.M, Pegg, L.E, Pauley, A.M, Moon, A.F, Krahn, J.M, Fischer, D.H, Kiefer, J.R, Tomasselli, A.G, Zack, M.D. | Deposit date: | 2012-01-18 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of human ADAM-8 catalytic domain complexed with batimastat. Acta Crystallogr.,Sect.F, 68, 2012
|
|
7JMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jmq by Molmil](/molmil-images/mine/7jmq) | The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-08-02 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The external aldimine form of mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
|
|
1CFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cfv by Molmil](/molmil-images/mine/1cfv) | MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI | Descriptor: | ESTRONE BETA-D-GLUCURONIDE, MONOCLONAL ANTIBODY FV4155, ZINC ION | Authors: | Trinh, C.H, Phillips, S.E.V. | Deposit date: | 1997-04-11 | Release date: | 1997-10-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibody fragment Fv4155 bound to two closely related steroid hormones: the structural basis of fine specificity. Structure, 5, 1997
|
|
7UKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ukn by Molmil](/molmil-images/mine/7ukn) | Crystal Structure of DDB1 in Complex with the H-Box Motif of pUL145 | Descriptor: | DNA damage-binding protein 1, H-Box Motif of pUL145 | Authors: | Wick, E.T, Treadway, C.J, Nicely, N.I, Li, Z, Ren, Z, Baldwin, A.S, Xiong, Y, Harrison, J.S, Brown, N.G. | Deposit date: | 2022-04-01 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insight into Viral Hijacking of CRL4 Ubiquitin Ligase through Structural Analysis of the pUL145-DDB1 Complex. J.Virol., 96, 2022
|
|
8SIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8siu by Molmil](/molmil-images/mine/8siu) | |
7JTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jtt by Molmil](/molmil-images/mine/7jtt) | |
5J2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j2u by Molmil](/molmil-images/mine/5j2u) | Tubulin-MMAF complex | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | Deposit date: | 2016-03-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics. Plos One, 11, 2016
|
|
7JQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jqw by Molmil](/molmil-images/mine/7jqw) | |
1CHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1chq by Molmil](/molmil-images/mine/1chq) | |
8K7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k7c by Molmil](/molmil-images/mine/8k7c) | Outward-facing structure of human ABCB6 W546A mutant (ADP/VO4-bound) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 6, MAGNESIUM ION, ... | Authors: | Jin, M.S, Lee, S.S, Park, J.G, Jang, E, Choi, S.H, Kim, S, Kim, J.W. | Deposit date: | 2023-07-26 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | W546 stacking disruption traps the human porphyrin transporter ABCB6 in an outward-facing transient state. Commun Biol, 6, 2023
|
|
4NKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nkz by Molmil](/molmil-images/mine/4nkz) | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone | Descriptor: | (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2013-11-13 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates. J.Biol.Chem., 289, 2014
|
|
8K7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k7b by Molmil](/molmil-images/mine/8k7b) | post-occluded structure of human ABCB6 W546A mutant (ADP/VO4-bound) | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, ADP ORTHOVANADATE, ATP-binding cassette sub-family B member 6, ... | Authors: | Jin, M.S, Lee, S.S, Park, J.G, Jang, E, Choi, S.H, Kim, S, Kim, J.W. | Deposit date: | 2023-07-26 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | W546 stacking disruption traps the human porphyrin transporter ABCB6 in an outward-facing transient state. Commun Biol, 6, 2023
|
|