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1QBI
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BU of 1qbi by Molmil
SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS
Descriptor: CALCIUM ION, GLYCEROL, PLATINUM (II) ION, ...
Authors:Oubrie, A, Rozeboom, H.J, Kalk, K.H, Duine, J.A, Dijkstra, B.W.
Deposit date:1999-04-22
Release date:2000-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The 1.7 A crystal structure of the apo form of the soluble quinoprotein glucose dehydrogenase from Acinetobacter calcoaceticus reveals a novel internal conserved sequence repeat.
J.Mol.Biol., 289, 1999
4BQR
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BU of 4bqr by Molmil
Mtb InhA complex with Methyl-thiazole compound 11
Descriptor: (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S.
Deposit date:2013-05-31
Release date:2013-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis.
J.Med.Chem., 56, 2013
2Y48
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Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC DEMETHYLASE 1A, REST COREPRESSOR 1, ...
Authors:Baron, R, Binda, C, Tortorici, M, McCammon, J.A, Mattevi, A.
Deposit date:2011-01-05
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase Lsd1-Corest Complex.
Structure, 19, 2011
2XNI
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BU of 2xni by Molmil
Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates
Descriptor: (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ...
Authors:Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J.
Deposit date:2010-08-02
Release date:2011-08-17
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
4C2Z
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BU of 4c2z by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, CHLORIDE ION, CITRIC ACID, ...
Authors:Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
Deposit date:2013-08-20
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Chemical Proteomics Defines the Mammalian N- Myristoylated Proteome in Live Cells Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
1Q6Q
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BU of 1q6q by Molmil
Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound xylitol 5-phosphate
Descriptor: 3-keto-L-gulonate 6-phosphate decarboxylase, L-XYLITOL 5-PHOSPHATE, MAGNESIUM ION
Authors:Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I.
Deposit date:2003-08-13
Release date:2003-10-28
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Structural Evidence for a 1,2-Enediolate Intermediate in the Reaction Catalyzed by 3-Keto-l-Gulonate 6-Phosphate Decarboxylase, a Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily
Biochemistry, 42, 2003
4C5F
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BU of 4c5f by Molmil
Structure of Lytic Transglycosylase MltC from Escherichia coli at 2.3 A resolution.
Descriptor: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE C
Authors:Artola-Recolons, C, Bernardo-Garcia, N, Mobashery, S, Hermoso, J.A.
Deposit date:2013-09-11
Release date:2014-07-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli.
Acs Chem.Biol., 9, 2014
2XYY
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BU of 2xyy by Molmil
De Novo model of Bacteriophage P22 procapsid coat protein
Descriptor: COAT PROTEIN
Authors:Chen, D.-H, Baker, M.L, Hryc, C.F, DiMaio, F, Jakana, J, Wu, W, Dougherty, M, Haase-Pettingell, C, Schmid, M.F, Jiang, W, Baker, D, King, J.A, Chiu, W.
Deposit date:2010-11-19
Release date:2011-02-02
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural Basis for Scaffolding-Mediated Assembly and Maturation of a DsDNA Virus.
Proc.Natl.Acad.Sci.USA, 108, 2011
2Y2C
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BU of 2y2c by Molmil
crystal structure of AmpD Apoenzyme
Descriptor: 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD
Authors:Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A.
Deposit date:2010-12-14
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
2Y28
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BU of 2y28 by Molmil
crystal structure of Se-Met AmpD derivative
Descriptor: 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, ZINC ION
Authors:Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A.
Deposit date:2010-12-14
Release date:2011-07-20
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
1QB3
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BU of 1qb3 by Molmil
CRYSTAL STRUCTURE OF THE CELL CYCLE REGULATORY PROTEIN CKS1
Descriptor: CYCLIN-DEPENDENT KINASES REGULATORY SUBUNIT
Authors:Bourne, Y, Watson, M.H, Arvai, A.S, Bernstein, S.L, Reed, S.I, Tainer, J.A.
Deposit date:1999-04-30
Release date:2000-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure and mutational analysis of the Saccharomyces cerevisiae cell cycle regulatory protein Cks1: implications for domain swapping, anion binding and protein interactions.
Structure Fold.Des., 8, 2000
1DN2
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BU of 1dn2 by Molmil
FC FRAGMENT OF HUMAN IGG1 IN COMPLEX WITH AN ENGINEERED 13 RESIDUE PEPTIDE DCAWHLGELVWCT-NH2
Descriptor: ENGINEERED PEPTIDE, IMMUNOGLOBULIN LAMBDA HEAVY CHAIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:DeLano, W.L, Ultsch, M.H, de Vos, A.M, Wells, J.A.
Deposit date:1999-12-15
Release date:2000-05-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Convergent solutions to binding at a protein-protein interface.
Science, 287, 2000
2Y2B
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BU of 2y2b by Molmil
crystal structure of AmpD in complex with reaction products
Descriptor: 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ...
Authors:Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A.
Deposit date:2010-12-14
Release date:2011-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
4C3E
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BU of 4c3e by Molmil
HRSV M2-1 mutant S58D S61D, P21 crystal
Descriptor: MATRIX M2-1, ZINC ION
Authors:Tanner, S.J, Ariza, A, Richard, C.A, Wu, W, Trincao, J, Hiscox, J.A, Carroll, M.W, Silman, N.J, Eleouet, J.F, Edwards, T.A, Barr, J.N.
Deposit date:2013-08-22
Release date:2014-01-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Essential Transcription Antiterminator M2-1 Protein of Human Respiratory Syncytial Virus and Implications of its Phosphorylation.
Proc.Natl.Acad.Sci.USA, 111, 2014
1ZI3
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BU of 1zi3 by Molmil
Crystal Structure of Human N-acetylgalactosaminyltransferase (GTA) Complexed with N-acetyllactosamine
Descriptor: CHLORIDE ION, Histo-blood group ABO system transferase (NAGAT) Includes: Glycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase, MERCURY (II) ION, ...
Authors:Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V.
Deposit date:2005-04-26
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006
1ZJ0
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BU of 1zj0 by Molmil
Crystal Structure of Human Galactosyltransferase (GTB) Complexed with Lactose
Descriptor: ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase; transferase B, alpha 1-3-galactosyltransferase), ...
Authors:Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V.
Deposit date:2005-04-27
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006
4C9F
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BU of 4c9f by Molmil
Structure of SIGN-R1 in complex with Sulfodextran
Descriptor: 4-O-sulfo-alpha-D-glucopyranose, CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, ...
Authors:Silva-Martin, N, Bartual, S.G, Rodriguez, A, Ramirez, E, Chacon, P, Anthony, R.M, Park, C.G, Hermoso, J.A.
Deposit date:2013-10-02
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1
Structure, 22, 2014
1YWS
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BU of 1yws by Molmil
Solution structure of YBL071w-A from Saccharomyces cerevisiae.
Descriptor: ZINC ION, protein YBL071w-A
Authors:Lukin, J.A, Guido, V, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-02-18
Release date:2005-03-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of YBL071w-A from Saccharomyces cerevisiae
To be published
1YXA
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BU of 1yxa by Molmil
Serpina3n, a murine orthologue of human antichymotrypsin
Descriptor: serine (or cysteine) proteinase inhibitor, clade A, member 3N
Authors:Horvath, A.J, Irving, J.A, Law, R.H, Rossjohn, J, Bottomley, S.P, Quinsey, N.S, Pike, R.N, Coughlin, P.B, Whisstock, J.C.
Deposit date:2005-02-20
Release date:2005-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The murine orthologue of human antichymotrypsin: a structural paradigm for clade A3 serpins.
J.Biol.Chem., 280, 2005
4C2X
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BU of 4c2x by Molmil
Human N-myristoyltransferase isoform 2 (NMT2)
Descriptor: 2-oxopentadecyl-CoA, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 2, MAGNESIUM ION
Authors:Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
Deposit date:2013-08-20
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
1YZS
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BU of 1yzs by Molmil
Solution structure of human sulfiredoxin (srx)
Descriptor: sulfiredoxin
Authors:Gruschus, J.M, Lee, D.Y, Ferretti, J.A, Rhee, S.G.
Deposit date:2005-02-28
Release date:2005-03-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of human sulfiredoxin (srx)
To be Published
4BII
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BU of 4bii by Molmil
How nature bridges the gap: Crystallographic elucidation of pyridomycin binding to InhA
Descriptor: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pyridomycin
Authors:Read, J.A, Gingell, H.
Deposit date:2013-04-10
Release date:2013-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyridomycin Bridges the Nadh and Substrate Binding Pockets of the Enoyl Reductase Inha
Nat.Chem.Biol., 10, 2014
1P6J
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BU of 1p6j by Molmil
Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ...
Authors:Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
Deposit date:2003-04-29
Release date:2004-01-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
4AYC
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BU of 4ayc by Molmil
RNF8 RING domain structure
Descriptor: CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF8, GLYCEROL, ...
Authors:Mattiroli, F, Vissers, J.H.A, Van Dijk, W.J, Ikpa, P, Citterio, E, Vermeulen, W, Marteijn, J.A, Sixma, T.K.
Deposit date:2012-06-20
Release date:2012-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rnf168 Ubiquitinates K13-15 on H2A/H2Ax to Drive DNA Damage Signaling
Cell(Cambridge,Mass.), 150, 2012
2V4L
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complex of human phosphoinositide 3-kinase catalytic subunit gamma (p110 gamma) with PIK-284
Descriptor: 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Apsel, B, Gonzalez, B, Blair, J.A, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A.
Deposit date:2008-09-25
Release date:2008-10-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeted Polypharmacology: Discovery of Dual Inhibitors of Tyrosine and Phosphoinositide Kinases.
Nat.Chem.Biol., 4, 2008

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