1ILV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ilv by Molmil](/molmil-images/mine/1ilv) | Crystal Structure Analysis of the TM107 | Descriptor: | STATIONARY-PHASE SURVIVAL PROTEIN SURE HOMOLOG | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Beasley, S, Evdokimova, E, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-05-08 | Release date: | 2001-10-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Thermotoga maritima stationary phase survival protein SurE: a novel acid phosphatase. Structure, 9, 2001
|
|
1L3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l3l by Molmil](/molmil-images/mine/1l3l) | Crystal structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA | Descriptor: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*GP*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP*CP*TP*GP*CP*AP*CP*AP*TP*C)-3', Transcriptional activator protein traR | Authors: | Zhang, R, Pappas, T, Brace, J.L, Miller, P.C, Oulmassov, T, Molyneaux, J.M, Anderson, J.C, Bashkin, J.K, Winans, S.C, Joachimiak, A. | Deposit date: | 2002-02-27 | Release date: | 2002-07-03 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA. Nature, 417, 2002
|
|
6R4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r4a by Molmil](/molmil-images/mine/6r4a) | Aurora-A in complex with shape-diverse fragment 55 | Descriptor: | 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
|
|
6R4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r4d by Molmil](/molmil-images/mine/6r4d) | Aurora-A in complex with shape-diverse fragment 58 | Descriptor: | (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
|
|
6R4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r4b by Molmil](/molmil-images/mine/6r4b) | Aurora-A in complex with shape-diverse fragment 56 | Descriptor: | (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
|
|
6R4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r4c by Molmil](/molmil-images/mine/6r4c) | Aurora-A in complex with shape-diverse fragment 57 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-01 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
|
|
6R49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r49 by Molmil](/molmil-images/mine/6r49) | Aurora-A in complex with shape-diverse fragment 39 | Descriptor: | (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
|
|
1YWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ywq by Molmil](/molmil-images/mine/1ywq) | |
3LMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lmb by Molmil](/molmil-images/mine/3lmb) | The crystal structure of the protein OLEI01261 with unknown function from Chlorobaculum tepidum TLS | Descriptor: | Uncharacterized protein | Authors: | Zhang, R, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-29 | Release date: | 2010-03-16 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
|
|
3G9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g9k by Molmil](/molmil-images/mine/3g9k) | Crystal structure of Bacillus anthracis transpeptidase enzyme CapD | Descriptor: | Capsule biosynthesis protein capD, GLUTAMIC ACID | Authors: | Zhang, R, Wu, R, Richter, S, Anderson, V.J, Missiakas, D, Joachimiak, A. | Deposit date: | 2009-02-13 | Release date: | 2009-06-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of Bacillus anthracis Transpeptidase Enzyme CapD. J.Biol.Chem., 284, 2009
|
|
3GA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ga9 by Molmil](/molmil-images/mine/3ga9) | Crystal structure of Bacillus anthracis transpeptidase enzyme CapD, crystal form II | Descriptor: | Capsule biosynthesis protein capD, GLUTAMIC ACID | Authors: | Zhang, R, Wu, R, Richter, S, Anderson, V.J, Missiakas, D, Joachimiak, A. | Deposit date: | 2009-02-16 | Release date: | 2009-06-16 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Bacillus anthracis Transpeptidase Enzyme CapD. J.Biol.Chem., 284, 2009
|
|
3SWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3swj by Molmil](/molmil-images/mine/3swj) | Crystal structure of Campylobacter jejuni ChuZ | Descriptor: | AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein | Authors: | Hu, Y. | Deposit date: | 2011-07-14 | Release date: | 2011-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.409 Å) | Cite: | Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode. Biochem.Biophys.Res.Commun., 415, 2011
|
|
3NRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nrv by Molmil](/molmil-images/mine/3nrv) | |
8I7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i7x by Molmil](/molmil-images/mine/8i7x) | Crystal structure of human ClpP in complex with ZG36 | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2023-02-02 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists. Eur.J.Med.Chem., 258, 2023
|
|
7EAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eau by Molmil](/molmil-images/mine/7eau) | SIB1, an effector of Colletotrichum orbiculare | Descriptor: | SIN1 | Authors: | Mori, M, Ohki, S, Kurita, J. | Deposit date: | 2021-03-08 | Release date: | 2021-11-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Fungal effector SIB1 of Colletotrichum orbiculare has unique structural features and can suppress plant immunity in Nicotiana benthamiana. J.Biol.Chem., 297, 2021
|
|
7VEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7veg by Molmil](/molmil-images/mine/7veg) | Understanding NH-pi interaction between Gln and Phe | Descriptor: | (2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide, ACETYLAMINO-ACETIC ACID, peptide | Authors: | Fan, S, Xu, F. | Deposit date: | 2021-09-08 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.385 Å) | Cite: | Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide. Biomolecules, 12, 2022
|
|
5KX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kx9 by Molmil](/molmil-images/mine/5kx9) | Selective Small Molecule Inhibition of the FMN Riboswitch | Descriptor: | (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ... | Authors: | Fischmann, T.O. | Deposit date: | 2016-07-20 | Release date: | 2016-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch. Rna Biol., 13, 2016
|
|
3KDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kdu by Molmil](/molmil-images/mine/3kdu) | |
3KDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kdt by Molmil](/molmil-images/mine/3kdt) | |
8XSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xsj by Molmil](/molmil-images/mine/8xsj) | SARS-CoV-2 Omicron BA.4 RBD + IMCAS-316 + ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | Deposit date: | 2024-01-09 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
|
|
8Y0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y0y by Molmil](/molmil-images/mine/8y0y) | Cryo-EM structure of the 123-316 scDb/PT-RBD complex | Descriptor: | 123-316 scDb, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Jia, G.W, Tong, Z, Tong, J.Y, Su, Z.M. | Deposit date: | 2024-01-23 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
|
|
8XSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xsi by Molmil](/molmil-images/mine/8xsi) | SARS-CoV-2 RBD + IMCAS-364 (Local Refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-364 H chain, IMCAS-364 L chain, ... | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | Deposit date: | 2024-01-09 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
|
|
8XSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xse by Molmil](/molmil-images/mine/8xse) | SARS-CoV-2 RBD + IMCAS-123 + IMCAS-72 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 H chain, IMCAS-123 L chain, ... | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | Deposit date: | 2024-01-09 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
|
|
8XSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xsf by Molmil](/molmil-images/mine/8xsf) | SARS-CoV-2 RBD + IMCAS-364 + hACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, IMCAS-364 H chain, ... | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | Deposit date: | 2024-01-09 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.16 Å) | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
|
|
8XSL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xsl by Molmil](/molmil-images/mine/8xsl) | SARS-CoV-2 spike + IMCAS-123 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 heavy chain, ... | Authors: | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | Deposit date: | 2024-01-09 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
|
|