4UDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4udb by Molmil](/molmil-images/mine/4udb) | MR in complex with desisobutyrylciclesonide | Descriptor: | DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V. | Deposit date: | 2014-12-09 | Release date: | 2015-11-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure, 23, 2015
|
|
4P9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p9n by Molmil](/molmil-images/mine/4p9n) | Crystal structure of sshesti PE mutant | Descriptor: | Carboxylesterase | Authors: | Unno, H. | Deposit date: | 2014-04-04 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the Low pH Adaptation of a Unique Carboxylesterase from Ferroplasma: ALTERING THE pH OPTIMA OF TWO CARBOXYLESTERASES. J.Biol.Chem., 289, 2014
|
|
6DMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dmp by Molmil](/molmil-images/mine/6dmp) | De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks | Descriptor: | Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B | Authors: | Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
|
|
6E4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e4x by Molmil](/molmil-images/mine/6e4x) | |
6E2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e2h by Molmil](/molmil-images/mine/6e2h) | |
6E29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e29 by Molmil](/molmil-images/mine/6e29) | |
3GI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gi3 by Molmil](/molmil-images/mine/3gi3) | Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase | Descriptor: | Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide | Authors: | Qian, K.C. | Deposit date: | 2009-03-05 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3NBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nbt by Molmil](/molmil-images/mine/3nbt) | Crystal structure of trimeric cytochrome c from horse heart | Descriptor: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | Authors: | Taketa, M, Komori, H, Hirota, S, Higuchi, Y. | Deposit date: | 2010-06-04 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cytochrome c polymerization by successive domain swapping at the C-terminal helix Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3NBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nbs by Molmil](/molmil-images/mine/3nbs) | Crystal structure of dimeric cytochrome c from horse heart | Descriptor: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | Authors: | Taketa, M, Komori, H, Hirota, S, Higuchi, Y. | Deposit date: | 2010-06-04 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cytochrome c polymerization by successive domain swapping at the C-terminal helix Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
6LF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lf1 by Molmil](/molmil-images/mine/6lf1) | SeviL, a GM1b/asialo-GM1 binding lectin | Descriptor: | CHLORIDE ION, SeviL | Authors: | Kamata, K, Ozeki, Y, Park, S.-Y, Tame, J.R.H. | Deposit date: | 2019-11-28 | Release date: | 2020-12-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of SeviL, a GM1b/asialo-GM1 binding R-type lectin from the mussel Mytilisepta virgata. Sci Rep, 10, 2020
|
|
6LF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lf2 by Molmil](/molmil-images/mine/6lf2) | SeviL bound to asialo-GM1 saccharide | Descriptor: | SeviL, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Kamata, K, Ozeki, Y, Park, S.-Y, Tame, J.R.H. | Deposit date: | 2019-11-28 | Release date: | 2020-12-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of SeviL, a GM1b/asialo-GM1 binding R-type lectin from the mussel Mytilisepta virgata. Sci Rep, 10, 2020
|
|
6L98
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l98 by Molmil](/molmil-images/mine/6l98) | Crystalline cast nephropathy-causing Bence-Jones protein AK: An entire immunoglobulin lambda light chain dimer | Descriptor: | Bence-Jones protein lambda light chain AK | Authors: | Nakagaki, T, Noguchi, K, Yohda, M, Odaka, M, Wakui, H, Matsumura, H. | Deposit date: | 2019-11-08 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Multiple Myeloma-Associated Ig Light Chain Crystalline Cast Nephropathy. Kidney Int Rep, 5, 2020
|
|
2RR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rr4 by Molmil](/molmil-images/mine/2rr4) | Complex structure of the zf-CW domain and the H3K4me3 peptide | Descriptor: | Histone H3, ZINC ION, Zinc finger CW-type PWWP domain protein 1 | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-03-24 | Release date: | 2010-09-15 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Structural insight into the zinc finger CW domain as a histone modification reader Structure, 18, 2010
|
|
6M9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m9l by Molmil](/molmil-images/mine/6m9l) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-23 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
|
|
6M1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m1w by Molmil](/molmil-images/mine/6m1w) | Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase | Descriptor: | Amidohydrolase, CHLORIDE ION, FE (III) ION, ... | Authors: | Hibi, M, Mikami, B, Ogawa, J. | Deposit date: | 2020-02-26 | Release date: | 2021-01-06 | Last modified: | 2021-01-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A three-component monooxygenase from Rhodococcus wratislaviensis may expand industrial applications of bacterial enzymes. Commun Biol, 4, 2021
|
|
6M2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m2i by Molmil](/molmil-images/mine/6m2i) | Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase | Descriptor: | 1,2-ETHANEDIOL, Amidohydrolase, FE (III) ION, ... | Authors: | Hibi, M, Mikami, B, Ogawa, J. | Deposit date: | 2020-02-27 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A three-component monooxygenase from Rhodococcus wratislaviensis may expand industrial applications of bacterial enzymes. Commun Biol, 4, 2021
|
|
3S0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s0n by Molmil](/molmil-images/mine/3s0n) | Crystal Structure of Human Chymase with Benzimidazolone Inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid, Chymase, ... | Authors: | Qian, K.C, Farrow, N.A, Padyana, A.K. | Deposit date: | 2011-05-13 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Benzimidazolone as potent chymase inhibitor: Modulation of reactive metabolite formation in the hydrophobic (P(1)) region. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3VOW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vow by Molmil](/molmil-images/mine/3vow) | Crystal Structure of the Human APOBEC3C having HIV-1 Vif-binding Interface | Descriptor: | CHLORIDE ION, Probable DNA dC->dU-editing enzyme APOBEC-3C, ZINC ION | Authors: | Kitamura, S, Suzuki, A, Watanabe, N, Iwatani, Y. | Deposit date: | 2012-02-22 | Release date: | 2012-10-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The APOBEC3C crystal structure and the interface for HIV-1 Vif binding. Nat.Struct.Mol.Biol., 19, 2012
|
|
5HI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hi5 by Molmil](/molmil-images/mine/5hi5) | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | Descriptor: | (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ... | Authors: | Liu, S. | Deposit date: | 2016-01-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists. Sci Rep, 6, 2016
|
|
5HXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hxm by Molmil](/molmil-images/mine/5hxm) | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with panose | Descriptor: | Alpha-xylosidase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-31 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|
5HOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hop by Molmil](/molmil-images/mine/5hop) | 1.65 Angstrom resolution crystal structure of lmo0182 (residues 1-245) from Listeria monocytogenes EGD-e | Descriptor: | ACETATE ION, Lmo0182 protein | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|
5INF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5inf by Molmil](/molmil-images/mine/5inf) | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | Descriptor: | Carboxyl transferase, HEXANOYL-COENZYME A | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L. | Deposit date: | 2016-03-07 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.751 Å) | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
|
|
5I0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i0e by Molmil](/molmil-images/mine/5i0e) | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with isomaltose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glycoside hydrolase family 31, ... | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|
5I0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i0f by Molmil](/molmil-images/mine/5i0f) | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with covalent intermediate | Descriptor: | CALCIUM ION, Glycoside hydrolase family 31, TRIETHYLENE GLYCOL, ... | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|
5I0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i0d by Molmil](/molmil-images/mine/5i0d) | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with cycloalternan | Descriptor: | CALCIUM ION, CHLORIDE ION, Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, ... | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|