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1MW2
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BU of 1mw2 by Molmil
Amylosucrase soaked with 100mM sucrose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, amylosucrase, ...
Authors:Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M.
Deposit date:2002-09-27
Release date:2002-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY
J.BIOL.CHEM., 277, 2002
1MW3
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BU of 1mw3 by Molmil
Amylosucrase soaked with 1M sucrose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, amylosucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M.
Deposit date:2002-09-27
Release date:2002-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY
J.BIOL.CHEM., 277, 2002
1N1M
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BU of 1n1m by Molmil
Human Dipeptidyl Peptidase IV/CD26 in complex with an inhibitor
Descriptor: 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rasmussen, H.B, Branner, S, Wiberg, F.C, Wagtmann, N.R.
Deposit date:2002-10-18
Release date:2002-12-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human dipeptidyl peptidase IV/CD26 in complex with a substrate analogue
Nat.Struct.Biol., 10, 2003
1MVY
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BU of 1mvy by Molmil
Amylosucrase mutant E328Q co-crystallized with maltoheptaose.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M.
Deposit date:2002-09-27
Release date:2002-12-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY
J.BIOL.CHEM., 277, 2002
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
Descriptor: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
Authors:Deller, M.C, Epling, L.B.
Deposit date:2023-11-02
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
9F41
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BU of 9f41 by Molmil
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with cholesterol bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ...
Authors:Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
9FW2
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BU of 9fw2 by Molmil
SARS CoV-2 nsp10 in complex with the ExoN domain from nsp14
Descriptor: GLYCEROL, Guanine-N7 methyltransferase nsp14, Non-structural protein 11, ...
Authors:Fisher, S.Z.
Deposit date:2024-06-28
Release date:2024-07-10
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:SARS CoV-2 nsp10 in complex with the ExoN domain from nsp14
To Be Published
9F40
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BU of 9f40 by Molmil
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound
Descriptor: ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ...
Authors:Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
4PC2
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BU of 4pc2 by Molmil
Elongation factor Tu:Ts complex with a bound GDP
Descriptor: CHLORIDE ION, Elongation factor Ts, Elongation factor Tu, ...
Authors:Thirup, S.S.
Deposit date:2014-04-14
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1999 Å)
Cite:Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu.
J.Struct.Biol., 191, 2015
4PO7
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BU of 4po7 by Molmil
Structure of the Sortilin:neurotensin complex at excess neurotensin concentration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurotensin/neuromedin N, Sortilin, ...
Authors:Quistgaard, E.M, Groftehauge, M.K, Thirup, S.S.
Deposit date:2014-02-25
Release date:2014-07-23
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Revisiting the structure of the Vps10 domain of human sortilin and its interaction with neurotensin.
Protein Sci., 23, 2014
4UR6
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BU of 4ur6 by Molmil
Structure of the type III fish antifreeze protein from Zoarces viviparus ZvAFP6
Descriptor: SULFATE ION, TYPE III ANTIFREEZE PROTEIN 6
Authors:Wilkens, C, Poulsen, J.-C.N, Ramloev, H, Lo Leggio, L.
Deposit date:2014-06-26
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Purification, Crystal Structure Determination and Functional Characterization of Type III Antifreeze Proteins from the European Eelpout Zoarces Viviparus.
Cryobiology, 69, 2014
4WML
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BU of 4wml by Molmil
Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(CH2)P
Descriptor: 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, Orotate phosphoribosyltransferase 1
Authors:Bang, M.B, Molich, U, Hansen, M.R, Grubmeyer, C, Harris, P.
Deposit date:2014-10-09
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of Saccharomyces cerevisia OMP synthase in complex with PRP(CH2)P
To Be Published
1W6I
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BU of 1w6i by Molmil
plasmepsin II-pepstatin A complex
Descriptor: PEPSTATIN, PLASMEPSIN 2 PRECURSOR
Authors:Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T.
Deposit date:2004-08-18
Release date:2006-07-05
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
1W6H
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BU of 1w6h by Molmil
Novel plasmepsin II-inhibitor complex
Descriptor: N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2
Authors:Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T.
Deposit date:2004-08-18
Release date:2006-07-05
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
1W4Y
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BU of 1w4y by Molmil
Ferrous horseradish peroxidase C1A in complex with carbon monoxide
Descriptor: CALCIUM ION, CARBON MONOXIDE, HORSERADISH PEROXIDASE C1A, ...
Authors:Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J.
Deposit date:2004-08-03
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide
Biochemistry, 44, 2005
1WBK
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BU of 1wbk by Molmil
HIV-1 protease in complex with asymmetric inhibitor, BEA568
Descriptor: N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL], POL PROTEIN (FRAGMENT)
Authors:Lindberg, J, Unge, T.
Deposit date:2004-11-02
Release date:2004-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV-1 Protease in Complex with Asymmetric Inhibitor, Bea568
To be Published
8CGS
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BU of 8cgs by Molmil
Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to antimony oxyanion
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ...
Authors:Engrola, F, Correia, M.A.S, Romao, M.J, Santos-Silva, T.
Deposit date:2023-02-06
Release date:2023-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism.
J.Biol.Chem., 299, 2023
1WB7
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BU of 1wb7 by Molmil
Iron Superoxide Dismutase (Fe-SOD) From The Hyperthermophile Sulfolobus Solfataricus. Crystal Structure of the Y41F mutant.
Descriptor: FE (III) ION, SUPEROXIDE DISMUTASE [FE]
Authors:Gogliettino, M.A, Tanfani, F, Scire, A, Ursby, T, Adinolfi, B.S, Cacciamani, T, De Vendittis, E.
Deposit date:2004-10-31
Release date:2004-11-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Role of Tyr41 and His155 in the Functional Properties of Superoxide Dismutase from the Archaeon Sulfolobus Solfataricus
Biochemistry, 43, 2004
1W4W
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BU of 1w4w by Molmil
Ferric horseradish peroxidase C1A in complex with formate
Descriptor: CALCIUM ION, FORMIC ACID, HORSERADISH PEROXIDASE C1A, ...
Authors:Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J.
Deposit date:2004-08-03
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide
Biochemistry, 44, 2005
8CO0
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BU of 8co0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-02-25
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
8CNG
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BU of 8cng by Molmil
Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CN4
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BU of 8cn4 by Molmil
Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-acetamido-2-chloranyl-benzoic acid, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
4UZ3
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BU of 4uz3 by Molmil
Crystal structure of the N-terminal LysM domains from the putative NlpC/P60 D,L endopeptidase from T. thermophilus bound to N-acetyl-chitohexaose
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
Authors:Wong, J.E.M.M, Blaise, M.
Deposit date:2014-09-04
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Intermolecular Binding Mechanism Involving Multiple Lysm Domains Mediates Carbohydrate Recognition by an Endopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
4WB3
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BU of 4wb3 by Molmil
Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin
Descriptor: ACETATE ION, CALCIUM ION, Complement C5, ...
Authors:Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
Deposit date:2014-09-02
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
8CM1
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BU of 8cm1 by Molmil
Lol B - Localization of lipoprotein B from Vibrio cholera
Descriptor: Outer-membrane lipoprotein LolB
Authors:Jaiman, D, Persson, K.
Deposit date:2023-02-17
Release date:2023-06-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A comparative analysis of lipoprotein transport proteins: LolA and LolB from Vibrio cholerae and LolA from Porphyromonas gingivalis.
Sci Rep, 13, 2023

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数据于2024-07-17公开中

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