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3P8G
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BU of 3p8g by Molmil
Crystal Structure of MT-SP1 in complex with benzamidine
Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, GLUTATHIONE, ...
Authors:Yuan, C, Huang, M, Chen, L.
Deposit date:2010-10-13
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of catalytic domain of Matriptase in complex with Sunflower trypsin inhibitor-1.
Bmc Struct.Biol., 11, 2011
4GOM
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BU of 4gom by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Aza-SAM
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine, DNA adenine methylase
Authors:Harmer, J.E, Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
2NZH
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BU of 2nzh by Molmil
Crystal structure of a secretion chaperone CsaA from Bacillus subtilis in the space group P 4 21 2
Descriptor: GLYCEROL, Protein csaA
Authors:Shapova, Y.A, Paetzel, M.
Deposit date:2006-11-23
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis of Bacillus subtilis CsaA.
Acta Crystallogr.,Sect.D, 63, 2007
3P96
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BU of 3p96 by Molmil
Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium, native form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-10-15
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.Struct.Funct.Genom., 12, 2011
3P9R
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BU of 3p9r by Molmil
Structure of I274G variant of E. coli KatE
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII
Authors:Loewen, P.C, Jha, V, Louis, S, Chelikani, P, Carpena, X, Fita, I.
Deposit date:2010-10-18
Release date:2010-12-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of heme orientation and binding by a single residue in catalase HPII of Escherichia coli.
Biochemistry, 50, 2011
3DZ6
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BU of 3dz6 by Molmil
Human AdoMetDC with 5'-[(4-aminooxybutyl)methylamino]-5'deoxy-8-ethyladenosine
Descriptor: 1,4-DIAMINOBUTANE, 5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine, S-adenosylmethionine decarboxylase alpha chain, ...
Authors:Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
Deposit date:2008-07-29
Release date:2009-03-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
3DZY
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BU of 3dzy by Molmil
Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with Rosiglitazone, 9-cis Retinoic Acid and NCOA2 Peptide
Descriptor: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
Authors:Chandra, V, Huang, P, Hamuro, Y, Raghuram, S, Wang, Y, Burris, T.P, Rastinejad, F.
Deposit date:2008-07-30
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA.
Nature, 456, 2008
4GZ0
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BU of 4gz0 by Molmil
Mus Musculus Tdp2-DNA Substrate Analog (5'-6-aminohexanol) Complex
Descriptor: 1,2-ETHANEDIOL, 6-aminohexan-1-ol, ACETATE ION, ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2012-09-05
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Mechanism of repair of 5'-topoisomerase II-DNA adducts by mammalian tyrosyl-DNA phosphodiesterase 2.
Nat.Struct.Mol.Biol., 19, 2012
3E0C
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BU of 3e0c by Molmil
Crystal Structure of DNA Damage-Binding protein 1(DDB1)
Descriptor: DNA damage-binding protein 1
Authors:Amaya, M.F, Xu, L, Hao, H, Bountra, C, Wickstroem, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-07-31
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
2O4C
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BU of 2o4c by Molmil
Crystal Structure of D-Erythronate-4-phosphate Dehydrogenase Complexed with NAD
Descriptor: Erythronate-4-phosphate dehydrogenase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Ha, J.Y, Lee, J.H, Kim, K.H, Kim, D.J, Lee, H.H, Kim, H.K, Yoon, H.J, Suh, S.W.
Deposit date:2006-12-04
Release date:2007-02-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of d-Erythronate-4-phosphate Dehydrogenase Complexed with NAD
J.Mol.Biol., 366, 2007
3PCR
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BU of 3pcr by Molmil
Structure of EspG-Arf6 complex
Descriptor: ADP-ribosylation factor 6, EspG, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Tomchick, D.R, Alto, N.M, Selyunin, A.S.
Deposit date:2010-10-21
Release date:2011-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The assembly of a GTPase-kinase signalling complex by a bacterial catalytic scaffold.
Nature, 469, 2011
4GSK
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BU of 4gsk by Molmil
Crystal structure of an Atg7-Atg10 crosslinked complex
Descriptor: Ubiquitin-like modifier-activating enzyme ATG7, Ubiquitin-like-conjugating enzyme ATG10, ZINC ION
Authors:Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A.
Deposit date:2012-08-27
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
2O4S
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BU of 2o4s by Molmil
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Lopinavir
Descriptor: CHLORIDE ION, GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ...
Authors:Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
Deposit date:2006-12-04
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
4O6N
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BU of 4o6n by Molmil
Structure of AF2299, a CDP-alcohol phosphotransferase (CDP-bound)
Descriptor: AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ...
Authors:Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-12-22
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
2O58
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BU of 2o58 by Molmil
Horse heart met manganese myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING MN, SULFATE ION
Authors:Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H.
Deposit date:2006-12-05
Release date:2007-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations.
J.Inorg.Biochem., 102, 2008
4GTY
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BU of 4gty by Molmil
Crystal structure of mouse Enpp1 in complex with GMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kato, K, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2012-08-29
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Proc.Natl.Acad.Sci.USA, 109, 2012
4O8M
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BU of 4o8m by Molmil
Crystal structure of a trap periplasmic solute binding protein actinobacillus succinogenes 130z, target EFI-510004, with bound L-galactonate
Descriptor: CHLORIDE ION, L-galactonic acid, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-12-28
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
3FYP
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BU of 3fyp by Molmil
Crystal structure of the quadruple mutant (N23C/C246S/D247E/P249A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 3-deoxy-D-manno-octulosonic acid 8-phosphate synthetase, CHLORIDE ION, GLYCEROL, ...
Authors:Jameson, G.B, Parker, E.J, Cochrane, F.P, Patchett, M.L.
Deposit date:2009-01-22
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Reversing evolution: re-establishing obligate metal ion dependence in a metal-independent KDO8P synthase
J.Mol.Biol., 390, 2009
4GXW
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BU of 4gxw by Molmil
Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn
Descriptor: Adenosine deaminase, CHLORIDE ION, ZINC ION
Authors:Vetting, M.W, Goble, A.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-09-04
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn
To be Published
3G3P
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BU of 3g3p by Molmil
The structure of the M53A Mutant of the Caulobacter crescentus CLPS in complex with a peptide containing an amino-terminal norleucine residue
Descriptor: ATP-dependent Clp protease adapter protein clpS, MAGNESIUM ION, Peptide (NLE)LFVQRDSKE
Authors:Baker, T.A, Roman-Hernandez, G, Sauer, R.T, Grant, R.A.
Deposit date:2009-02-02
Release date:2010-03-09
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Structure of Caulobacter crescentus ClpS in complex with various peptides
To be Published
4H3G
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BU of 4h3g by Molmil
Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile
Descriptor: 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
2O6K
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BU of 2o6k by Molmil
Crystal structure of UPF0346 from Staphylococcus aureus. Northeast Structural Genomics target ZR218.
Descriptor: UPF0346 protein MW1311
Authors:Benach, J, Abashidze, M, Seetharaman, J, Wang, D, Fang, Y, Xiao, R, Cunningham, K, Ma, L.-C, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-12-07
Release date:2006-12-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of UPF0346 from Staphylococcus aureus. Northeast Structural Genomics target ZR218.
To be Published
3G3W
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BU of 3g3w by Molmil
Crystal structure of spin labeled T4 Lysozyme (T151R1) at 291 K
Descriptor: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ...
Authors:Fleissner, M.R, Cascio, D, Hubbell, W.L.
Deposit date:2009-02-02
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural origin of weakly ordered nitroxide motion in spin-labeled proteins.
Protein Sci., 18, 2009
3G0C
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BU of 3g0c by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, ...
Authors:Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
3PD8
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BU of 3pd8 by Molmil
X-ray structure of the ligand-binding core of GluA2 in complex with (S)-7-HPCA at 2.5 A resolution
Descriptor: (7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid, ACETIC ACID, CACODYLATE ION, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2010-10-22
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.476 Å)
Cite:Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010

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