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5NPP
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BU of 5npp by Molmil
2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
Descriptor: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Chan, P.F, Stavenger, R.A.
Deposit date:2017-04-18
Release date:2017-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3MAX
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BU of 3max by Molmil
Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
Authors:Skene, R.J, Jennings, A.J.
Deposit date:2010-03-24
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
4MAX
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BU of 4max by Molmil
Crystal structure of Synechococcus sp. PCC 7002 globin at cryogenic temperature with heme modification
Descriptor: HEME B/C, SULFATE ION, cyanoglobin
Authors:Wenke, B.B, Schlessman, J.L, Heroux, A, Lecomte, J.T.J.
Deposit date:2013-08-18
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:The 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 with covalently attached heme: Comparison of X-ray and NMR structures.
Proteins, 82, 2014
6MAX
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BU of 6max by Molmil
Crystal structure of Ribonuclease P protein from Thermotoga maritima in complex with purpurin
Descriptor: Purpurin, Ribonuclease P protein component, SULFATE ION
Authors:Torres-Larios, A, Madrigal-Carrillo, E.A.
Deposit date:2018-08-28
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A screening platform to monitor RNA processing and protein-RNA interactions in ribonuclease P uncovers a small molecule inhibitor.
Nucleic Acids Res., 47, 2019
1MAX
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BU of 1max by Molmil
BETA-TRYPSIN PHOSPHONATE INHIBITED
Descriptor: BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
Authors:Bertrand, J, Oleksyszyn, J, Kam, C, Boduszek, B, Presnell, S, Plaskon, R, Suddath, F, Powers, J, Williams, L.
Deposit date:1996-02-06
Release date:1996-10-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
2MAX
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BU of 2max by Molmil
NMR structure of the RNA polymerase alpha subunit C-terminal domain from Helicobacter pylori
Descriptor: DNA-directed RNA polymerase subunit alpha
Authors:Borin, B.N, Krezel, A.M.
Deposit date:2013-07-21
Release date:2014-03-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Helicobacter pylori RNA polymerase alpha-subunit C-terminal domain shows features unique to -proteobacteria and binds NikR/DNA complexes.
Protein Sci., 23, 2014
7MAX
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BU of 7max by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM137
Descriptor: 3C-like proteinase, D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor SM137
To Be Published
4Y08
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BU of 4y08 by Molmil
ONE MINUTE IRON LOADED HUMAN H FERRITIN
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2015-02-05
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
4ZJK
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BU of 4zjk by Molmil
FIVE MINUTES IRON LOADED HUMAN H FERRITIN
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2015-04-29
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
4YKH
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BU of 4ykh by Molmil
Thirty minutes iron loaded human H ferritin
Descriptor: BICINE, CHLORIDE ION, FE (II) ION, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2015-03-04
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
4OYN
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BU of 4oyn by Molmil
Fifteen minutes iron loaded human H ferritin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, CHLORIDE ION, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2014-02-12
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
1OEY
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BU of 1oey by Molmil
Heterodimer of p40phox and p67phox PB1 domains from human NADPH oxidase
Descriptor: NEUTROPHIL CYTOSOL FACTOR 2, NEUTROPHIL CYTOSOL FACTOR 4
Authors:Wilson, M.I, Gill, D.J, Perisic, O, Quinn, M.T, Williams, R.L.
Deposit date:2003-04-02
Release date:2003-07-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pb1 Domain-Mediated Heterodimerization in Nadph Oxidase and Signaling Complexes of Atypical Protein Kinase C with Par6 and P62
Mol.Cell, 12, 2003
7TIK
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BU of 7tik by Molmil
Structure of the SARS-CoV-2 Omicron spike post-fusion bundle
Descriptor: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-01-13
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
1IK3
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BU of 1ik3 by Molmil
LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH 13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID
Descriptor: (TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-OCTADECENOIC ACID, (TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-OCTADECENOIC ACID, 13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID, ...
Authors:Skrzypczak-Jankun, E, Funk Jr, M.O.
Deposit date:2001-05-01
Release date:2001-11-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of a purple lipoxygenase.
J.Am.Chem.Soc., 123, 2001
1IPK
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BU of 1ipk by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT AND NATIVE SOYBEAN BETA-CONGLYCININ BETA HOMOTRIMERS
Descriptor: BETA-CONGLYCININ, BETA CHAIN
Authors:Maruyama, N, Adachi, M, Takahashi, K, Yagasaki, K, Kohno, M, Takenaka, Y, Okuda, E, Nakagawa, S, Mikami, B, Utsumi, S.
Deposit date:2001-05-16
Release date:2002-05-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of recombinant and native soybean beta-conglycinin beta homotrimers.
Eur.J.Biochem., 268, 2001
1S08
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BU of 1s08 by Molmil
Crystal Structure of the D147N Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
1S0A
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BU of 1s0a by Molmil
Crystal Structure of the Y17F Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
1S09
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BU of 1s09 by Molmil
Crystal Structure of the Y144F Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
1D6R
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BU of 1d6r by Molmil
CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY
Descriptor: BOWMAN-BIRK PROTEINASE INHIBITOR PRECURSOR, TRYPSINOGEN
Authors:Koepke, J, Ermler, U, Wenzl, G, Flecker, P.
Deposit date:1999-10-15
Release date:2000-05-05
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of cancer chemopreventive Bowman-Birk inhibitor in ternary complex with bovine trypsin at 2.3 A resolution. Structural basis of Janus-faced serine protease inhibitor specificity.
J.Mol.Biol., 298, 2000
1S6J
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BU of 1s6j by Molmil
N-terminal Region of the Ca2+-saturated calcium regulatory domain (CLD) from Soybean Calcium-dependent Protein Kinase-alpha (CDPK)
Descriptor: CALCIUM ION, Calcium-dependent protein kinase SK5
Authors:Weljie, A.M, Vogel, H.J.
Deposit date:2004-01-23
Release date:2004-12-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure and Backbone Dynamics of the N-Terminal Region of the Calcium Regulatory Domain from Soybean Calcium-Dependent Protein Kinase alpha
Biochemistry, 42, 2004
1S6I
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BU of 1s6i by Molmil
Ca2+-regulatory region (CLD) from soybean calcium-dependent protein kinase-alpha (CDPK) in the presence of Ca2+ and the junction domain (JD)
Descriptor: CALCIUM ION, Calcium-dependent protein kinase SK5
Authors:Weljie, A.M, Vogel, H.J.
Deposit date:2004-01-23
Release date:2004-06-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha
J.Biol.Chem., 279, 2004
8RP8
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BU of 8rp8 by Molmil
Structure of K2 Fab in complex with human CD47 ECD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Laursen, M, Kelpsas, V, Rose, N.
Deposit date:2024-01-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
8RPB
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BU of 8rpb by Molmil
Structure of S79 Fab in complex with IgV domain of human PD-L1
Descriptor: CHLORIDE ION, GLYCEROL, Programmed cell death 1 ligand 1, ...
Authors:Svensson, A, Kelpsas, V, Laursen, M, Rose, N.
Deposit date:2024-01-15
Release date:2024-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
6Q76
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BU of 6q76 by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-Pia with the HMA domain of Pikp-1 from rice (Oryza sativa)
Descriptor: AVR-Pia protein, Resistance protein Pikp-1
Authors:Varden, F.A, Banfield, M.J.
Deposit date:2018-12-12
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cross-reactivity of a rice NLR immune receptor to distinct effectors from the rice blast pathogenMagnaporthe oryzaeprovides partial disease resistance.
J.Biol.Chem., 294, 2019
7S10
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BU of 7s10 by Molmil
Crystal Structure of ascorbate peroxidase triple mutant: S160M, L203M, Q204M
Descriptor: L-ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Poulos, T.L, Kim, J, Murarka, V.C.
Deposit date:2021-08-31
Release date:2022-09-07
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.40000689 Å)
Cite:Computational analysis of the tryptophan cation radical energetics in peroxidase Compound I.
J.Biol.Inorg.Chem., 27, 2022

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