5J95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j95 by Molmil](/molmil-images/mine/5j95) | MAP4K4 in complex with inhibitor | Descriptor: | 1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2016-04-08 | Release date: | 2017-04-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MAP4K4 in complex with inhibitor To Be Published
|
|
4HR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hr9 by Molmil](/molmil-images/mine/4hr9) | Human interleukin 17A | Descriptor: | Interleukin-17A | Authors: | Liu, S. | Deposit date: | 2012-10-26 | Release date: | 2013-05-22 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structures of interleukin 17A and its complex with IL-17 receptor A. Nat Commun, 4, 2013
|
|
4HSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hsa by Molmil](/molmil-images/mine/4hsa) | Structure of interleukin 17a in complex with il17ra receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | Authors: | Liu, S. | Deposit date: | 2012-10-29 | Release date: | 2013-05-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal structures of interleukin 17A and its complex with IL-17 receptor A. Nat Commun, 4, 2013
|
|
1S2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1s2v by Molmil](/molmil-images/mine/1s2v) | Crystal structure of phosphoenolpyruvate mutase complexed with Mg(II) | Descriptor: | MAGNESIUM ION, Phosphoenolpyruvate phosphomutase | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | Deposit date: | 2004-01-11 | Release date: | 2004-05-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational Flexibility of PEP Mutase Biochemistry, 43, 2004
|
|
3DYL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dyl by Molmil](/molmil-images/mine/3dyl) | human phosphdiesterase 9 substrate complex (ES complex) | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, FORMIC ACID, ... | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | Deposit date: | 2008-07-28 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3DY8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dy8 by Molmil](/molmil-images/mine/3dy8) | Human Phosphodiesterase 9 in complex with product 5'-GMP (E+P complex) | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | Deposit date: | 2008-07-25 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3DYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dyn by Molmil](/molmil-images/mine/3dyn) | human phosphodiestrase 9 in complex with cGMP (Zn inhibited) | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | Deposit date: | 2008-07-28 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3DYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dys by Molmil](/molmil-images/mine/3dys) | human phosphodiestrase-5'GMP complex (EP), produced by soaking with 20mM cGMP+20 mM MnCl2+20 mM MgCl2 for 2 hours, and flash-cooled to liquid nitrogen temperature when substrate was still abudant. | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | Deposit date: | 2008-07-28 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3DYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dyq by Molmil](/molmil-images/mine/3dyq) | human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | Deposit date: | 2008-07-28 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
4QDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qde by Molmil](/molmil-images/mine/4qde) | Dcps in complex with covalent inhibitor | Descriptor: | 2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, PHOSPHATE ION, m7GpppX diphosphatase | Authors: | Liu, S. | Deposit date: | 2014-05-13 | Release date: | 2015-05-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dcps in complex with covalent inhibitors To be Published
|
|
5BX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bx1 by Molmil](/molmil-images/mine/5bx1) | Crystal Structure of PRL-1 complex with compound analogy 3 | Descriptor: | 3-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide, Protein tyrosine phosphatase type IVA 1, SULFATE ION | Authors: | Liu, S, Bai, Y, Zhang, Z. | Deposit date: | 2015-06-08 | Release date: | 2016-12-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of PRL-1 complex with compound analogy 3 To Be Published
|
|
1D3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d3g by Molmil](/molmil-images/mine/1d3g) | HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG | Descriptor: | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | Authors: | Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J. | Deposit date: | 1999-09-29 | Release date: | 2000-09-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents. Structure Fold.Des., 8, 2000
|
|
1D3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1d3h by Molmil](/molmil-images/mine/1d3h) | HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726 | Descriptor: | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ... | Authors: | Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J. | Deposit date: | 1999-09-29 | Release date: | 2000-08-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents. Structure Fold.Des., 8, 2000
|
|
7TD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7td0 by Molmil](/molmil-images/mine/7td0) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
|
|
7TD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7td2 by Molmil](/molmil-images/mine/7td2) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
|
|
7TD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7td3 by Molmil](/molmil-images/mine/7td3) | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
|
|
7TD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7td1 by Molmil](/molmil-images/mine/7td1) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
|
|
7TD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7td4 by Molmil](/molmil-images/mine/7td4) | Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
|
|
6WV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wv6 by Molmil](/molmil-images/mine/6wv6) | Human VKOR with phenindione | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phenindione, Vitamin K epoxide reductase, ... | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
|
|
6WVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wvh by Molmil](/molmil-images/mine/6wvh) | Human VKOR with Brodifacoum | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ... | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-06 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
|
|
6WV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wv3 by Molmil](/molmil-images/mine/6wv3) | Human VKOR with warfarin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ... | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
|
|
6WV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wv4 by Molmil](/molmil-images/mine/6wv4) | Human VKOR C43S with warfarin | Descriptor: | S-WARFARIN, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.012 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
|
|
6WV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wv8 by Molmil](/molmil-images/mine/6wv8) | Takifugu rubripes VKOR-like C138S mutant with vitamin K1 | Descriptor: | PHYLLOQUINONE, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
|
|
6WVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wvb by Molmil](/molmil-images/mine/6wvb) | Takifugu rubripes VKOR-like with warfarin | Descriptor: | S-WARFARIN, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.872 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
|
|
6WV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wv5 by Molmil](/molmil-images/mine/6wv5) | Human VKOR C43S mutant with vitamin K1 epoxide | Descriptor: | (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
|
|