7CXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cxa by Molmil](/molmil-images/mine/7cxa) | Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group. | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Kumar, A. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3. Glycobiology, 31, 2021
|
|
7CXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cxc by Molmil](/molmil-images/mine/7cxc) | |
7CXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cxb by Molmil](/molmil-images/mine/7cxb) | Structure of mouse Galectin-3 CRD in complex with TD-139 belonging to P6522 space group. | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Kumar, A. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3. Glycobiology, 31, 2021
|
|
6JMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jmi by Molmil](/molmil-images/mine/6jmi) | Crystal structure of M.tuberculosis Rv0081 | Descriptor: | SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv0081 | Authors: | Kumar, A, Phulera, S, Mande, C.S. | Deposit date: | 2019-03-11 | Release date: | 2019-04-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.896 Å) | Cite: | Structural basis of hypoxic gene regulation by the Rv0081 transcription factor of Mycobacterium tuberculosis. Febs Lett., 593, 2019
|
|
4DHW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dhw by Molmil](/molmil-images/mine/4dhw) | Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with Adipic acid at 2.4 Angstrom resolution | Descriptor: | Peptidyl-tRNA hydrolase, hexanedioic acid | Authors: | Kumar, A, Singh, A, Singh, N, Sinha, M, Sharma, S, Arora, A, Singh, T.P. | Deposit date: | 2012-01-30 | Release date: | 2012-02-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with Adipic acid at 2.4 Angstrom resolution To be Published
|
|
7CXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cxd by Molmil](/molmil-images/mine/7cxd) | Xray structure of rat Galectin-3 CRD in complex with TD-139 belonging to P121 space group | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, BROMIDE ION, Galectin-3 | Authors: | Kumar, A. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3. Glycobiology, 31, 2021
|
|
4ERX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4erx by Molmil](/molmil-images/mine/4erx) | Crystal structure of the complex of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with diethylene glycol at 2.5 Angstrom resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, Peptidyl-tRNA hydrolase | Authors: | Kumar, A, Singh, A, Singh, N, Sinha, M, Sharma, S, Arora, A, Singh, T.P. | Deposit date: | 2012-04-21 | Release date: | 2012-05-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the complex of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with diethylene glycol at 2.5 Angstrom resolution To be Published
|
|
5ID2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5id2 by Molmil](/molmil-images/mine/5id2) | |
8DK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dk6 by Molmil](/molmil-images/mine/8dk6) | Structure of hepatitis C virus envelope N-terminal truncated glycoprotein 2 (E2) (residues 456-713) from J6 genotype | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, 2A12 Fab light chain, ... | Authors: | Kumar, A, Rohe, T, Elrod, E.J, Khan, A.G, Dearborn, A.D, Kissinger, R, Grakoui, A, Marcotrigiano, J. | Deposit date: | 2022-07-03 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Regions of hepatitis C virus E2 required for membrane association. Nat Commun, 14, 2023
|
|
2RKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rkw by Molmil](/molmil-images/mine/2rkw) | Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the energy converter A1Ao ATP synthase | Descriptor: | V-type ATP synthase beta chain | Authors: | Kumar, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Gruber, G. | Deposit date: | 2007-10-18 | Release date: | 2008-09-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Spectroscopic and crystallographic studies of the mutant R416W give insight into the nucleotide binding traits of subunit B of the A1Ao ATP synthase Proteins, 75, 2009
|
|
1CEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ceh by Molmil](/molmil-images/mine/1ceh) | STRUCTURE AND FUNCTION OF THE CATALYTIC SITE MUTANT ASP99ASN OF PHOSPHOLIPASE A2: ABSENCE OF CONSERVED STRUCTURAL WATER | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Kumar, A, Sekharudu, C, Ramakrishnan, B, Dupureur, C.M, Zhu, H, Tsai, M.-D, Sundaralingam, M. | Deposit date: | 1994-11-16 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of the catalytic site mutant Asp 99 Asn of phospholipase A2: absence of the conserved structural water. Protein Sci., 3, 1994
|
|
3IKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ikj by Molmil](/molmil-images/mine/3ikj) | Structural characterization for the nucleotide binding ability of subunit A mutant S238A of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, V-type ATP synthase alpha chain | Authors: | Kumar, A, Manimekali, M.S.S, Balakrishna, A.M, Jeyakanthan, J, Gruber, G. | Deposit date: | 2009-08-06 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution. J.Mol.Biol., 396, 2010
|
|
8IA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ia6 by Molmil](/molmil-images/mine/8ia6) | |
8JCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jcs by Molmil](/molmil-images/mine/8jcs) | |
8JCQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jcq by Molmil](/molmil-images/mine/8jcq) | |
8JCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jcr by Molmil](/molmil-images/mine/8jcr) | Crystal structure of Procerain from Calotropis gigantea (pH 6.0) | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | Authors: | Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D. | Deposit date: | 2023-05-11 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Procerain from Calotropis gigantea To Be Published
|
|
3P2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p2j by Molmil](/molmil-images/mine/3p2j) | Crystal structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis at 2.2 A resolution | Descriptor: | Peptidyl-tRNA hydrolase | Authors: | Kumar, A, Singh, A, Yadav, R, Sinha, M, Arora, A, Sharma, S, Singh, T.P. | Deposit date: | 2010-10-02 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal Structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis at 2.2 A resolution To be Published
|
|
5DSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dss by Molmil](/molmil-images/mine/5dss) | |
7UCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ucc by Molmil](/molmil-images/mine/7ucc) | Transcription factor FosB/JunD bZIP domain in the reduced form | Descriptor: | CHLORIDE ION, ETHANOL, Protein fosB, ... | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | Deposit date: | 2022-03-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB. Nucleic Acids Res., 50, 2022
|
|
7UCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ucd by Molmil](/molmil-images/mine/7ucd) | Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480 | Descriptor: | 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ... | Authors: | Kumar, A, Machius, M.C, Rudenko, G. | Deposit date: | 2022-03-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Chemically targeting the redox switch in AP1 transcription factor Delta FOSB. Nucleic Acids Res., 50, 2022
|
|
4LQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lq6 by Molmil](/molmil-images/mine/4lq6) | Crystal structure of Rv3717 reveals a novel amidase from M. tuberculosis | Descriptor: | CHLORIDE ION, N-acetymuramyl-L-alanine amidase-related protein, PLATINUM (II) ION, ... | Authors: | Kumar, A, Kumar, S, Kumar, D, Mishra, A, Dewangan, R.P, Shrivastava, P, Ramachandran, S, Taneja, B. | Deposit date: | 2013-07-17 | Release date: | 2013-12-04 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | The structure of Rv3717 reveals a novel amidase from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 69, 2013
|
|
7RBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rbn by Molmil](/molmil-images/mine/7rbn) | Human DNA polymerase beta crosslinked complex, 20 min Ca to Mg exchange | Descriptor: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7RBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rbj by Molmil](/molmil-images/mine/7rbj) | Human DNA polymerase beta crosslinked complex, 30 s Ca to Mg exchange | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7RBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rbi by Molmil](/molmil-images/mine/7rbi) | Human DNA polymerase beta crosslinked complex, 20 s Ca to Mg exchange | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7RBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rbo by Molmil](/molmil-images/mine/7rbo) | Human DNA polymerase beta crosslinked complex, 60 min Ca to Mg exchange | Descriptor: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|