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5L5G
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BU of 5l5g by Molmil
Plexin A2 full extracellular region, domains 1 to 8 modeled, data to 10 angstrom
Descriptor: Plexin-A2
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (10 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5M
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BU of 5l5m by Molmil
Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8 angstrom, spacegroup P4(3)2(1)2
Descriptor: Plexin-A4
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (8 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5VU0
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BU of 5vu0 by Molmil
Crystal structure of the complex between afucosylated/galactosylated human IgG1 Fc and Fc gamma receptor IIIa (CD16A) with Man5 N-glycans
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Subedi, G.S, Marcella, A.M, Barb, A.W.
Deposit date:2017-05-18
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Antibody Fucosylation Lowers the Fc gamma RIIIa/CD16a Affinity by Limiting the Conformations Sampled by the N162-Glycan.
ACS Chem. Biol., 13, 2018
1HGZ
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BU of 1hgz by Molmil
Filamentous Bacteriophage PH75
Descriptor: PH75 INOVIRUS MAJOR COAT PROTEIN
Authors:Pederson, D.M, Welsh, L.C, Marvin, D.A, Sampson, M, Perham, R.N, Yu, M, Slater, M.R.
Deposit date:2000-12-17
Release date:2001-06-01
Last modified:2024-02-14
Method:FIBER DIFFRACTION (2.4 Å)
Cite:The Protein Capsid of Filamentous Bacteriophage Ph75 from Thermus Thermophilus
J.Mol.Biol., 309, 2001
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-04-13
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
5KOU
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BU of 5kou by Molmil
Crystal structure of the human astrovirus 2 capsid protein spike domain at 1.87-A resolution
Descriptor: Capsid polyprotein VP25
Authors:Bogdanoff, W.A, DuBois, R.M.
Deposit date:2016-07-01
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.867 Å)
Cite:Structure of a Human Astrovirus Capsid-Antibody Complex and Mechanistic Insights into Virus Neutralization.
J. Virol., 91, 2017
5FSN
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BU of 5fsn by Molmil
MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol.
Descriptor: 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ...
Authors:Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5L0K
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Crystal Structure of Autotaxin and Compound PF-8380
Descriptor: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Durbin, J.D.
Deposit date:2016-07-27
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
1HFH
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BU of 1hfh by Molmil
SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
Descriptor: FACTOR H, 15TH AND 16TH C-MODULE PAIR
Authors:Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
Deposit date:1993-02-23
Release date:1993-07-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
1HFI
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BU of 1hfi by Molmil
SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
Descriptor: FACTOR H, 15TH C-MODULE PAIR
Authors:Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
Deposit date:1993-02-23
Release date:1993-07-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
5FJT
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BU of 5fjt by Molmil
N-acyl amino acid racemase from Amycolatopsis sp. Ts-1-60: G291D F323 mutant in complex with N-acetyl phenylalanine
Descriptor: MAGNESIUM ION, N-acetyl-L-phenylalanine, O-SUCCINYLBENZOATE SYNTHASE
Authors:Sanchez Carron, G, Campopiano, D, Grogan, G.
Deposit date:2015-10-12
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of N-Acylamino Acid Racemase Mutants in Complex with Substrates
To be Published
4P99
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BU of 4p99 by Molmil
Ca2+-stabilized adhesin helps an Antarctic bacterium reach out and bind ice
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Guo, S, Vance, D.R.T, Campbell, R.L, Davies, P.L.
Deposit date:2014-04-02
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ca2+-stabilized adhesin helps an Antarctic bacterium reach out and bind ice.
Biosci.Rep., 34, 2014
3L8K
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BU of 3l8k by Molmil
Crystal structure of a dihydrolipoyl dehydrogenase from Sulfolobus solfataricus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dihydrolipoyl dehydrogenase, PHOSPHATE ION
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Miller, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-12-31
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a dihydrolipoyl dehydrogenase from Sulfolobus solfataricus
To be Published
5KOV
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BU of 5kov by Molmil
Crystal structure of the human astrovirus 2 capsid protein spike in complex with a single chain variable fragment of an astrovirus neutralizing antibody at 3.24-A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid polyprotein VP90, PL-2 scFv chain
Authors:Bogdanoff, W.A, DuBois, R.M.
Deposit date:2016-07-01
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Structure of a Human Astrovirus Capsid-Antibody Complex and Mechanistic Insights into Virus Neutralization.
J. Virol., 91, 2017
2C2Z
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BU of 2c2z by Molmil
Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL) -14-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL] -11-[(1R)-1-HYDROXYETHYL]-5-(2-METHYLPROPYL)-3,6,9,12-TETRAOXO -1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Powers, J.C, Gruetter, M.G.
Deposit date:2005-10-02
Release date:2006-09-20
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
3LPE
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BU of 3lpe by Molmil
Crystal structure of Spt4/5NGN heterodimer complex from Methanococcus jannaschii
Descriptor: DNA-directed RNA polymerase subunit E'', Putative transcription antitermination protein nusG, ZINC ION
Authors:Hirtreiter, A, Damsma, G.E, Cheung, A.C.M, Klose, D, Grohmann, D, Vojnic, E, Martin, A.C.R, Cramer, P, Werner, F.
Deposit date:2010-02-05
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Spt4/5 stimulates transcription elongation through the RNA polymerase clamp coiled-coil motif.
Nucleic Acids Res., 38, 2010
3UXW
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BU of 3uxw by Molmil
Crystal Structures of an A-T-hook/DNA complex
Descriptor: A-T hook peptide, dodecamer DNA
Authors:Fonfria-Subiros, E, Acosta-Reyes, F.J, Saperas, N, Pous, J, Subirana, J.A, Campos, J.L.
Deposit date:2011-12-05
Release date:2012-05-23
Last modified:2013-03-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of a complex of DNA with one AT-hook of HMGA1.
Plos One, 7, 2012
2WSJ
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BU of 2wsj by Molmil
Crystal Structure of single point mutant Glu71Ser p-coumaric Acid Decarboxylase
Descriptor: BARIUM ION, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
Authors:Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M.
Deposit date:2009-09-07
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism.
Proteins, 78, 2010
5L0B
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BU of 5l0b by Molmil
Crystal Structure of Autotaxin and Compound 1
Descriptor: 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Durbin, J.D.
Deposit date:2016-07-27
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
1HGV
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BU of 1hgv by Molmil
Filamentous Bacteriophage PH75
Descriptor: PH75 INOVIRUS MAJOR COAT PROTEIN
Authors:Pederson, D.M, Welsh, L.C, Marvin, D.A, Sampson, M, Perham, R.N, Yu, M, Slater, M.R.
Deposit date:2000-12-15
Release date:2001-06-01
Last modified:2023-12-13
Method:FIBER DIFFRACTION (2.4 Å)
Cite:The Protein Capsid of Filamentous Bacteriophage Ph75 from Thermus Thermophilus
J.Mol.Biol., 309, 2001
2WZP
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BU of 2wzp by Molmil
Structures of Lactococcal Phage p2 Baseplate Shed Light on a Novel Mechanism of Host Attachment and Activation in Siphoviridae
Descriptor: CAMELID VHH5, LACTOCOCCAL PHAGE P2 ORF15, LACTOCOCCAL PHAGE P2 ORF16, ...
Authors:Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
Deposit date:2009-12-01
Release date:2010-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WYJ
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BU of 2wyj by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs
Descriptor: (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN
Authors:Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J.
Deposit date:2009-11-16
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
4P2E
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BU of 4p2e by Molmil
Acoustic transfer of protein crystals from agar pedestals to micromeshes for high throughput screening of heavy atom derivatives
Descriptor: CHLORIDE ION, COPPER (II) ION, Lysozyme C, ...
Authors:Cuttitta, C.M, Roessler, C.G, Ericson, D.L, Scalia, A, Teplitsky, E, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Sweet, R.M, Soares, A.S.
Deposit date:2014-03-03
Release date:2014-04-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Acoustic transfer of protein crystals from agarose pedestals to micromeshes for high-throughput screening.
Acta Crystallogr.,Sect.D, 71, 2015
5L59
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BU of 5l59 by Molmil
Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P2(1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5K
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BU of 5l5k by Molmil
Plexin A4 full extracellular region, domains 1 to 10, data to 7.5 angstrom, spacegroup P4(1)
Descriptor: Plexin-A4
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (7.501 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016

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