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2WNU
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BU of 2wnu by Molmil
Complex between c1q globular heads and heparan sulfate
Descriptor: 2-O-sulfo-beta-L-altropyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C1Q SUBCOMPONENT SUBUNIT A, ...
Authors:Garlatti, V, Chouquet, A, Lunardi, T, Thielens, N.M, Arlaud, G.J, Gaboriaud, C.
Deposit date:2009-07-20
Release date:2010-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cutting Edge: C1Q Binds Deoxyribose and Heparan Sulfate Through Neighboring Sites of its Recognition Domain.
J.Immunol., 185, 2010
1Y48
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BU of 1y48 by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R65A mutant
Descriptor: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
Authors:Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
Deposit date:2004-11-30
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
2WIL
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BU of 2wil by Molmil
AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F.
Deposit date:2009-05-12
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Activity Analysis of Aging and Reactivation of Human Butyrylcholinesterase Inhibited by Analogues of Tabun
Biochem.J., 421, 2009
3NOS
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BU of 3nos by Molmil
HUMAN ENDOTHELIAL NITRIC OXIDE SYNTHASE WITH ARGININE SUBSTRATE
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ENDOTHELIAL NITRIC-OXIDE SYNTHASE, N-OMEGA-HYDROXY-L-ARGININE, ...
Authors:Fischmann, T.O, Weber, P.C.
Deposit date:1999-02-03
Release date:2000-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation.
Nat.Struct.Biol., 6, 1999
2WJ6
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BU of 2wj6 by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A COMPLEXED WITH ITS NATURAL PRODUCT N- ACETYLANTHRANILATE
Descriptor: 1H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ...
Authors:Steiner, R.A.
Deposit date:2009-05-22
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold.
Proc.Natl.Acad.Sci.USA, 107, 2010
2PXA
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BU of 2pxa by Molmil
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH and GTPG
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Genome polyprotein [Contains: Capsid protein C (Core protein); Envelope protein M (Matrix protein); Major envelope protein E; Non-structural protein 1 (NS1); Non-structural protein 2A (NS2A); Flavivirin protease NS2B regulatory subunit; Flavivirin protease NS3 catalytic subunit; Non-structural protein 4A (NS4A); Non-structural protein 4B (NS4B); RNA-directed RNA polymerase (EC 2.7.7.48) (NS5)], S-ADENOSYL-L-HOMOCYSTEINE
Authors:Assenberg, R, Ren, J, Verma, A, Walter, T.S, Alderton, D, Hurrelbrink, R.J, Fuller, S.D, Owens, R.J, Stuart, D.I, Grimes, J.M, Oxford Protein Production Facility (OPPF)
Deposit date:2007-05-14
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the Murray Valley encephalitis virus NS5 methyltransferase domain in complex with cap analogues.
J.Gen.Virol., 88, 2007
1Y3C
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BU of 1y3c by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R62A mutant
Descriptor: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
Authors:Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
Deposit date:2004-11-24
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
3NSB
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BU of 3nsb by Molmil
Structure of bacteriorhodopsin ground state before and after X-ray modification
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Borshchevskiy, V.I.
Deposit date:2010-07-01
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray-Radiation-Induced Changes in Bacteriorhodopsin Structure.
J.Mol.Biol., 409, 2011
6IGK
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BU of 6igk by Molmil
Crystal Structure of human ETB receptor in complex with Endothelin-3
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Endothelin receptor type B,Endolysin,Endothelin receptor type B, ...
Authors:Shihoya, W, Izume, T, Inoue, A, Yamashita, K, Kadji, F.M.N, Hirata, K, Aoki, J, Nishizawa, T, Nureki, O.
Deposit date:2018-09-25
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
3NNZ
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BU of 3nnz by Molmil
Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3S,4S)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2010-06-24
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.
Bioorg.Med.Chem.Lett., 20, 2010
2ZXW
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BU of 2zxw by Molmil
Bovine heart cytochrome c oxidase at the fully oxidized state (1-s X-ray exposure dataset)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Hirata, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S.
Deposit date:2009-01-08
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009
2Q0U
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BU of 2q0u by Molmil
Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, CALCIUM ION, ...
Authors:Allingham, J.S, Miles, C.O, Rayment, I.
Deposit date:2007-05-22
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A structural basis for regulation of actin polymerization by pectenotoxins.
J.Mol.Biol., 371, 2007
3NPZ
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BU of 3npz by Molmil
Prolactin Receptor (PRLR) Complexed with the Natural Hormone (PRL)
Descriptor: Prolactin, Prolactin receptor
Authors:Van Agthoven, J, England, P, Goffin, V, Broutin, I.
Deposit date:2010-06-29
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural characterization of the stem-stem dimerization interface between prolactin receptor chains complexed with the natural hormone.
J.Mol.Biol., 404, 2010
2Q1N
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BU of 2q1n by Molmil
Actin Dimer Cross-linked Between Residues 41 and 374
Descriptor: Actin, alpha skeletal muscle, CALCIUM ION, ...
Authors:Sawaya, M.R, Pashkov, I, Kudryashov, D.S, Adisetiyo, H, Reisler, E, Yeates, T.O.
Deposit date:2007-05-25
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Multiple crystal structures of actin dimers and their implications for interactions in the actin filament.
Acta Crystallogr.,Sect.D, 64, 2008
3NVJ
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BU of 3nvj by Molmil
Crystal structure of the C143A/C166A mutant of Ero1p
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, CADMIUM ION, Endoplasmic oxidoreductin-1, ...
Authors:Fass, D, Vonshak, O.
Deposit date:2010-07-08
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Steps in reductive activation of the disulfide-generating enzyme Ero1p
Protein Sci., 19, 2010
6IIE
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BU of 6iie by Molmil
Crystal structure of human diacylglycerol kinase alpha EF-hand domains bound to Ca2+
Descriptor: CALCIUM ION, Diacylglycerol kinase alpha, GLYCEROL, ...
Authors:Takahashi, D, Suzuki, K, Sakamoto, T, Iwamoto, T, Murata, T, Sakane, F.
Deposit date:2018-10-04
Release date:2019-02-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:Crystal structure and calcium-induced conformational changes of diacylglycerol kinase alpha EF-hand domains.
Protein Sci., 28, 2019
1YDC
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BU of 1ydc by Molmil
STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1994-12-22
Release date:1995-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of inhibitor affinity to variants of human carbonic anhydrase II.
Biochemistry, 34, 1995
3NSE
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BU of 3nse by Molmil
BOVINE ENOS, H4B-FREE, SEITU COMPLEX
Descriptor: ACETATE ION, ARGININE, CACODYLATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
Deposit date:1998-09-23
Release date:1999-05-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
6IJ6
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BU of 6ij6 by Molmil
Crystal structure of PETase S121E, D186H, R280A mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Joo, S, Kim, K.J.
Deposit date:2018-10-08
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational Protein Engineering of Thermo-Stable PETase from Ideonella sakaiensis for Highly Efficient PET Degradation
Acs Catalysis, 9, 2019
3A0H
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BU of 3a0h by Molmil
Crystal structure of I-substituted Photosystem II complex
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ...
Authors:Kawakami, K, Umena, Y, Kamiya, N, Shen, J.-R.
Deposit date:2009-03-17
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:Location of chloride and its possible functions in oxygen-evolving photosystem II revealed by X-ray crystallography
Proc.Natl.Acad.Sci.USA, 106, 2009
6IJJ
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BU of 6ijj by Molmil
Photosystem I of Chlamydomonas reinhardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X, Ma, J, Su, X, Liu, Z, Zhang, X, Li, M.
Deposit date:2018-10-10
Release date:2019-03-20
Last modified:2019-05-01
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Nat Plants, 5, 2019
6IJX
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BU of 6ijx by Molmil
Crystal Structure of AKR1C1 complexed with meclofenamic acid
Descriptor: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X.
Deposit date:2018-10-12
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
3KO9
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BU of 3ko9 by Molmil
DTD from Plasmodium falciparum in complex with D-Arginine
Descriptor: D-ARGININE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KZK
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BU of 3kzk by Molmil
Crystal structure of acetylornithine transcarbamylase complexed with acetylcitrulline
Descriptor: (S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID, N-acetylornithine carbamoyltransferase, SULFATE ION
Authors:Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2009-12-08
Release date:2010-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of N-acetylornithine transcarbamylase from Xanthomonas campestris: a novel enzyme in a new arginine biosynthetic pathway found in several eubacteria.
J.Biol.Chem., 280, 2005
2PX2
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BU of 2px2 by Molmil
Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH (Monoclinic form 1)
Descriptor: CHLORIDE ION, Genome polyprotein [Contains: Capsid protein C (Core protein); Envelope protein M (Matrix protein); Major envelope protein E; Non-structural protein 1 (NS1); Non-structural protein 2A (NS2A); Flavivirin protease NS2B regulatory subunit; Flavivirin protease NS3 catalytic subunit; Non-structural protein 4A (NS4A); Non-structural protein 4B (NS4B); RNA-directed RNA polymerase (EC 2.7.7.48) (NS5)], S-ADENOSYL-L-HOMOCYSTEINE
Authors:Assenberg, R, Ren, J, Verma, A, Walter, T.S, Alderton, D, Hurrelbrink, R.J, Fuller, S.D, Owens, R.J, Stuart, D.I, Grimes, J.M, Oxford Protein Production Facility (OPPF)
Deposit date:2007-05-14
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the Murray Valley encephalitis virus NS5 methyltransferase domain in complex with cap analogues.
J.Gen.Virol., 88, 2007

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