6NQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nq5 by Molmil](/molmil-images/mine/6nq5) | |
5W0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w0h by Molmil](/molmil-images/mine/5w0h) | |
6NRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nre by Molmil](/molmil-images/mine/6nre) | Monomeric Lipocalin Can F 6 | Descriptor: | Lipocalin-Can f 6 allergen | Authors: | Clayton G, M, Kappler J, W, Chan, S. | Deposit date: | 2019-01-23 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural characteristics of lipocalin allergens: Crystal structure of the immunogenic dog allergen Can f 6. Plos One, 14, 2019
|
|
5VVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vvm by Molmil](/molmil-images/mine/5vvm) | |
5VWS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vws by Molmil](/molmil-images/mine/5vws) | Ligand free structure of Cytochrome P450 TbtJ1 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A. | Deposit date: | 2017-05-22 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides. ACS Chem. Biol., 12, 2017
|
|
6NG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ng3 by Molmil](/molmil-images/mine/6ng3) | Crystal structure of human CD160 and HVEM complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD160 antigen,Tumor necrosis factor receptor superfamily member 14, MAGNESIUM ION, ... | Authors: | Liu, W, Bonanno, J, Almo, S.C. | Deposit date: | 2018-12-21 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Basis of CD160:HVEM Recognition. Structure, 27, 2019
|
|
5W1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w1d by Molmil](/molmil-images/mine/5w1d) | |
5VRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vrt by Molmil](/molmil-images/mine/5vrt) | Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Co-bound FeBMb | Descriptor: | COBALT (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | Deposit date: | 2017-05-11 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism. J. Am. Chem. Soc., 139, 2017
|
|
5W4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w4t by Molmil](/molmil-images/mine/5w4t) | Crystal Structure of Fish Cadherin-23 EC1-3 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | De-la-Torre, P, Sotomayor, M. | Deposit date: | 2017-06-12 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
|
|
5VT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vt8 by Molmil](/molmil-images/mine/5vt8) | |
6NKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nkq by Molmil](/molmil-images/mine/6nkq) | |
6NO8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6no8 by Molmil](/molmil-images/mine/6no8) | |
5VZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vzq by Molmil](/molmil-images/mine/5vzq) | Sperm whale myoglobin V68A/I107Y with nitric oxide | Descriptor: | Myoglobin, NITRIC OXIDE, NITRITE ION, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2017-05-29 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
|
|
5VP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vp7 by Molmil](/molmil-images/mine/5vp7) | Crystal structure of human KRAS G12A mutant in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xu, S, Long, B, Boris, G, Chen, A, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-04 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
|
|
5W26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w26 by Molmil](/molmil-images/mine/5w26) | INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 4-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID | Descriptor: | (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. | Deposit date: | 2017-06-05 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. J. Med. Chem., 61, 2018
|
|
5VPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vpm by Molmil](/molmil-images/mine/5vpm) | |
5W2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w2u by Molmil](/molmil-images/mine/5w2u) | INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 7-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID | Descriptor: | (2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid, (2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. | Deposit date: | 2017-06-06 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. J. Med. Chem., 61, 2018
|
|
5VTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vts by Molmil](/molmil-images/mine/5vts) | Dehaloperoxidase B Y28F mutant | Descriptor: | Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2017-05-18 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Probing the Structure-Function Relationship of a Multifunctional Enzyme using Crystallographic Diffraction Methods Thesis, North Carolina State University, 2017
|
|
5VUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vub by Molmil](/molmil-images/mine/5vub) | Pim1 Kinase in complex with a benzofuranone inhibitor | Descriptor: | (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Parker, L.J. | Deposit date: | 2017-05-18 | Release date: | 2017-12-13 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach J Chem Inf Model, 57, 2017
|
|
6NSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nsx by Molmil](/molmil-images/mine/6nsx) | |
6NG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ng0 by Molmil](/molmil-images/mine/6ng0) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib in the inactive state. | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2018-12-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
|
|
5VPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vpz by Molmil](/molmil-images/mine/5vpz) | Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
|
|
6NLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nlo by Molmil](/molmil-images/mine/6nlo) | Human ABCC6 NBD1 H812A in Apo state | Descriptor: | Multidrug resistance-associated protein 6, SULFATE ION | Authors: | Zheng, A, Thibodeau, P.H. | Deposit date: | 2019-01-08 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85021973 Å) | Cite: | Structures of human ABCC6 NBD1 and NBD2 To be published
|
|
5VZO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vzo by Molmil](/molmil-images/mine/5vzo) | Sperm whale myoglobin H64A with nitric oxide | Descriptor: | GLYCEROL, Myoglobin, NITRIC OXIDE, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2017-05-29 | Release date: | 2018-06-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
|
|
6O17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o17 by Molmil](/molmil-images/mine/6o17) | Recombinant Human Insulin | Descriptor: | Insulin chain A, Insulin chain B | Authors: | Reyes-Grajeda, J.P. | Deposit date: | 2019-02-18 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Human WT insulin To Be Published
|
|