4NFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nfn by Molmil](/molmil-images/mine/4nfn) | Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol | Descriptor: | 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol, SULFATE ION, Tau-tubulin kinase 1 | Authors: | Sheriff, S. | Deposit date: | 2013-10-31 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor. Acta Crystallogr F Struct Biol Commun, 70, 2014
|
|
4NFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nfm by Molmil](/molmil-images/mine/4nfm) | Human tau tubulin kinase 1 (TTBK1) | Descriptor: | GLYCEROL, Tau-tubulin kinase 1 | Authors: | Sheriff, S. | Deposit date: | 2013-10-31 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor. Acta Crystallogr F Struct Biol Commun, 70, 2014
|
|
4WVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wvs by Molmil](/molmil-images/mine/4wvs) | Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | Authors: | Pokross, M.E. | Deposit date: | 2014-11-07 | Release date: | 2015-05-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
|
|
4EMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4emd by Molmil](/molmil-images/mine/4emd) | |
4EGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ege by Molmil](/molmil-images/mine/4ege) | |
4WY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wy6 by Molmil](/molmil-images/mine/4wy6) | Crystal structure of human BACE-1 bound to Compound 36 | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Vajdos, F.F. | Deposit date: | 2014-11-15 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
|
|
7Y0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y0w by Molmil](/molmil-images/mine/7y0w) | Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5514H, BD55-5514L, ... | Authors: | Zhang, Z, Xiao, J. | Deposit date: | 2022-06-06 | Release date: | 2022-09-28 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents. Cell Rep, 41, 2022
|
|
6WJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wj1 by Molmil](/molmil-images/mine/6wj1) | Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-4H03 heavy chain, ... | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.503 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
|
|
4WVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wvu by Molmil](/molmil-images/mine/4wvu) | CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | Authors: | Pokross, M.E. | Deposit date: | 2014-11-07 | Release date: | 2015-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
|
|
1CHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1chz by Molmil](/molmil-images/mine/1chz) | A NEW NEUROTOXIN FROM BUTHUS MARTENSII KARSCH | Descriptor: | CHLORIDE ION, PROTEIN (BMK M2) | Authors: | He, X.L, Deng, J.P, Li, H.M, Wang, D.C. | Deposit date: | 1999-03-31 | Release date: | 2000-03-31 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure of a new neurotoxin from the scorpion Buthus martensii Karsch at 1.76 A. Acta Crystallogr.,Sect.D, 56, 2000
|
|
6WIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wiy by Molmil](/molmil-images/mine/6wiy) | Crystal structure of Fab 54-1G05 | Descriptor: | Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, GLYCEROL | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
|
|
8H3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h3z by Molmil](/molmil-images/mine/8h3z) | |
6WIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wiz by Molmil](/molmil-images/mine/6wiz) | Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ... | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
|
|
4YGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ygx by Molmil](/molmil-images/mine/4ygx) | |
4YH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yh1 by Molmil](/molmil-images/mine/4yh1) | |
7WRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wry by Molmil](/molmil-images/mine/7wry) | |
7V2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v2z by Molmil](/molmil-images/mine/7v2z) | ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ... | Authors: | Lin, M.M, Yang, H.T. | Deposit date: | 2021-08-10 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10101676 Å) | Cite: | Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis. Acs Infect Dis., 8, 2022
|
|
7Y0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y0c by Molmil](/molmil-images/mine/7y0c) | Crystal structure of BD55-1403 and SARS-CoV-2 Omicron RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-1403 Fab heavy chain, BD55-1403 Fab light chain, ... | Authors: | Zhang, Z, Xiao, J. | Deposit date: | 2022-06-04 | Release date: | 2022-09-28 | Last modified: | 2023-04-12 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents. Cell Rep, 41, 2022
|
|
6WW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ww4 by Molmil](/molmil-images/mine/6ww4) | Crystal structure of HERC2 ZZ domain in complex with histone H3 tail | Descriptor: | GLYCEROL, Histone H3.1,E3 ubiquitin-protein ligase HERC2, ZINC ION | Authors: | Liu, J, Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-07 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1. Structure, 28, 2020
|
|
4X2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x2l by Molmil](/molmil-images/mine/4x2l) | Crystal structure of human BACE-1 bound to Compound 6 | Descriptor: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Vajdos, F.F, Parris, K. | Deposit date: | 2014-11-26 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
|
|
7UD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ud7 by Molmil](/molmil-images/mine/7ud7) | Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-03-18 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease. Biomolecules, 12, 2022
|
|
6WW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ww3 by Molmil](/molmil-images/mine/6ww3) | Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SUMO1 linked HERC2 ZZ domain (Small ubiquitin-related modifier 1,E3 ubiquitin-protein ligase HERC2), ... | Authors: | Liu, J, Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-07 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1. Structure, 28, 2020
|
|
7UJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ujd by Molmil](/molmil-images/mine/7ujd) | PSMD2 Structure bound to MC1 and Fab8/14 | Descriptor: | 26S proteasome non-ATPase regulatory subunit 2, ACY-PHE-PRO-ASP-VAL-SAR-LEU-HIS-ARG-TYR-TRP-GLY-TRP-ASP-CYS-GLY-NH2, Fab 14 HC CDRs, ... | Authors: | Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C. | Deposit date: | 2022-03-30 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Targeted degradation via direct 26S proteasome recruitment. Nat.Chem.Biol., 19, 2023
|
|
7UIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uih by Molmil](/molmil-images/mine/7uih) | PSMD2 Structure | Descriptor: | 26S proteasome non-ATPase regulatory subunit 2, Fab 14 HC CDRs, Fab 14 LC CDRs, ... | Authors: | Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C. | Deposit date: | 2022-03-29 | Release date: | 2023-01-11 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Targeted degradation via direct 26S proteasome recruitment. Nat.Chem.Biol., 19, 2023
|
|
5EIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eig by Molmil](/molmil-images/mine/5eig) | |