4JZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jzc by Molmil](/molmil-images/mine/4jzc) | Angiopoietin-2 fibrinogen domain TAG mutant | Descriptor: | Angiopoietin-2 | Authors: | Yu, X, Seegar, T.C.M, Dalton, A.C, Tzvetkova-Robev, D, Goldgur, Y, Nikolov, D.B, Barton, W.A. | Deposit date: | 2013-04-02 | Release date: | 2013-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for angiopoietin-1-mediated signaling initiation. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
7LPG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lpg by Molmil](/molmil-images/mine/7lpg) | APE1 product complex with abasic ribonucleotide DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-R(P*N)-D(P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2021-02-11 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Altered APE1 activity on abasic ribonucleotides is mediated by changes in the nucleoside sugar pucker. Comput Struct Biotechnol J, 19, 2021
|
|
4HW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hw3 by Molmil](/molmil-images/mine/4hw3) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
|
|
4K0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k0v by Molmil](/molmil-images/mine/4k0v) | Structural basis for angiopoietin-1 mediated signaling initiation | Descriptor: | Angiopoietin-1, TEK tyrosine kinase variant | Authors: | Yu, X, Seegar, T.C.M, Dalton, A.C, Tzvetkova-Robev, D, Goldgur, Y, Nikolov, D.B, Barton, W.A. | Deposit date: | 2013-04-04 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.51 Å) | Cite: | Structural basis for angiopoietin-1-mediated signaling initiation. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4HXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxy by Molmil](/molmil-images/mine/4hxy) | |
7LPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lpi by Molmil](/molmil-images/mine/7lpi) | APE1 phosphorothioate substrate complex with abasic ribonucleotide DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-R(P*(YA4))-D(P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA-(apurinic or apyrimidinic site) lyase | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2021-02-11 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Altered APE1 activity on abasic ribonucleotides is mediated by changes in the nucleoside sugar pucker. Comput Struct Biotechnol J, 19, 2021
|
|
4HW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hw4 by Molmil](/molmil-images/mine/4hw4) | |
7LWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lwh by Molmil](/molmil-images/mine/7lwh) | Human neurofibromin 2/merlin residues 1-339 in complex with LATS1 | Descriptor: | GLYCEROL, IMIDAZOLE, Merlin, ... | Authors: | Primi, M.C, Rangarajan, E.S, Izard, T. | Deposit date: | 2021-03-01 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.606 Å) | Cite: | Conformational flexibility determines the Nf2/merlin tumor suppressor functions. Matrix Biol Plus, 12, 2021
|
|
4HYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hyx by Molmil](/molmil-images/mine/4hyx) | Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-4 DMPC Bicelle | Descriptor: | Bacteriorhodopsin, DECANE, GLYCEROL, ... | Authors: | Lee, S, Stout, C.D, Zhang, Q. | Deposit date: | 2012-11-14 | Release date: | 2013-03-20 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
3K0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k0f by Molmil](/molmil-images/mine/3k0f) | Crystal structure of the phosphorylation-site double mutant T426A/T432A of the KaiC circadian clock protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | Authors: | Pattanayek, R, Egli, M, Pattanayek, S. | Deposit date: | 2009-09-24 | Release date: | 2010-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase. Plos One, 4, 2009
|
|
7LWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lwd by Molmil](/molmil-images/mine/7lwd) | Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ... | Authors: | Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J. | Deposit date: | 2021-03-01 | Release date: | 2021-08-11 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter. Nat Commun, 12, 2021
|
|
4HZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hzh by Molmil](/molmil-images/mine/4hzh) | Structure of recombinant Gla-domainless prothrombin mutant S525A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | Authors: | Pozzi, N, Niu, W, Gohara, D.W, Chen, Z, Di Cera, E. | Deposit date: | 2012-11-15 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of prothrombin reveals conformational flexibility and mechanism of activation. J.Biol.Chem., 288, 2013
|
|
3JCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jce by Molmil](/molmil-images/mine/3jce) | Structure of Escherichia coli EF4 in pretranslocational ribosomes (Pre EF4) | Descriptor: | 16S ribosomal RNA, 23 ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Zhang, D, Yan, K, Liu, G, Song, G, Luo, J, Shi, Y, Cheng, E, Wu, S, Jiang, T, Low, J, Gao, N, Qin, Y. | Deposit date: | 2015-12-01 | Release date: | 2016-01-13 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | EF4 disengages the peptidyl-tRNA CCA end and facilitates back-translocation on the 70S ribosome Nat. Struct. Mol. Biol., 23, 2016
|
|
7LRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lrg by Molmil](/molmil-images/mine/7lrg) | |
4HYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hyt by Molmil](/molmil-images/mine/4hyt) | Na,K-ATPase in the E2P state with bound ouabain and Mg2+ in the cation-binding site | Descriptor: | 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Laursen, M, Yatime, L, Nissen, P, Fedosova, N.U. | Deposit date: | 2012-11-14 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.404 Å) | Cite: | Crystal structure of the high-affinity Na+,K+-ATPase-ouabain complex with Mg2+ bound in the cation binding site. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
3JD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jd8 by Molmil](/molmil-images/mine/3jd8) | cryo-EM structure of the full-length human NPC1 at 4.4 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Zhou, Q, Yan, N. | Deposit date: | 2016-05-01 | Release date: | 2016-06-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.43 Å) | Cite: | The structure of Niemann-Pick C1 protein To Be Published
|
|
4K5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k5a by Molmil](/molmil-images/mine/4k5a) | Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W | Descriptor: | Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12 | Authors: | Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. | Deposit date: | 2013-04-14 | Release date: | 2014-04-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
|
|
4K5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k5k by Molmil](/molmil-images/mine/4k5k) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4I2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i2p by Molmil](/molmil-images/mine/4i2p) | Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue | Descriptor: | (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, Gag-Pol polyprotein | Authors: | Patel, D, Bauman, J.D, Das, K, Arnold, E. | Deposit date: | 2012-11-22 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2964 Å) | Cite: | A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
|
|
7KY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ky7 by Molmil](/molmil-images/mine/7ky7) | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the apo E1 state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, CHOLESTEROL, ... | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | Deposit date: | 2020-12-07 | Release date: | 2021-01-06 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases. Elife, 9, 2020
|
|
4K1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k1w by Molmil](/molmil-images/mine/4k1w) | Crystal structure of the A314P mutant of mannonate dehydratase from novosphingobium aromaticivorans complexed with mg and d-mannonate | Descriptor: | 1,3-PROPANDIOL, CARBON DIOXIDE, CARBONATE ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-04-06 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.646 Å) | Cite: | Crystal structure of the A314P mutant of mannonate
dehydratase from novosphingobium aromaticivorans complexed with mg
and d-mannonate To be Published
|
|
7KGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kgn by Molmil](/molmil-images/mine/7kgn) | S. Typhi YcbB - ertapenem complex | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, L,D-transpeptidase | Authors: | Caveney, N.A, Strynadka, N.C.J. | Deposit date: | 2020-10-18 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections. Antimicrob.Agents Chemother., 65, 2021
|
|
4I5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i5b by Molmil](/molmil-images/mine/4i5b) | |
7KNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7knh by Molmil](/molmil-images/mine/7knh) | Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5 | 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: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
|
|
7KJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kj3 by Molmil](/molmil-images/mine/7kj3) | SARS-CoV-2 Spike Glycoprotein with two ACE2 Bound | 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: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | Deposit date: | 2020-10-25 | Release date: | 2020-11-11 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent. Nat.Struct.Mol.Biol., 28, 2021
|
|