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6RUQ
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BU of 6ruq by Molmil
Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution
Descriptor: (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-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:Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S.
Deposit date:2019-05-28
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.65 Å)
Cite:Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
4WAK
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BU of 4wak by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ...
Authors:Hoffmann, K.M, Rowlett, R.S.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4WAM
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BU of 4wam by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P
Descriptor: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase
Authors:Rowlett, R.S, Hoffman, K.M.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
12E8
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BU of 12e8 by Molmil
2E8 FAB FRAGMENT
Descriptor: IGG1-KAPPA 2E8 FAB (HEAVY CHAIN), IGG1-KAPPA 2E8 FAB (LIGHT CHAIN)
Authors:Rupp, B, Trakhanov, S.
Deposit date:1998-03-14
Release date:1998-08-05
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a monoclonal 2E8 Fab antibody fragment specific for the low-density lipoprotein-receptor binding region of apolipoprotein E refined at 1.9 A.
Acta Crystallogr.,Sect.D, null, 1999
1AM5
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BU of 1am5 by Molmil
THE CRYSTAL STRUCTURE AND PROPOSED AMINO ACID SEQUENCE OF A PEPSIN FROM ATLANTIC COD (GADUS MORHUA)
Descriptor: PEPSIN
Authors:Karlsen, S, Hough, E, Olsen, R.L.
Deposit date:1997-06-23
Release date:1997-12-24
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure and proposed amino-acid sequence of a pepsin from atlantic cod (Gadus morhua).
Acta Crystallogr.,Sect.D, 54, 1998
6XSV
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BU of 6xsv by Molmil
X-ray structure of a tetragonal crystal form of alpha amylase from Aspergillus oryzae (Tala-Amylase) at 1.65 A resolution
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
Authors:McPherson, A.
Deposit date:2020-07-16
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase).
J.Biosci.Bioeng., 131, 2021
7PTZ
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BU of 7ptz by Molmil
High resolution X-ray structure of E. coli expressed Lentinus similis LPMO.
Descriptor: Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION
Authors:Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J.O, Hernandez-Rollan, C, Norholm, H.H.M, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-09-27
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.093 Å)
Cite:Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
1BHC
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BU of 1bhc by Molmil
BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, THIOCYANATE ION
Authors:Hamiaux, C, Prange, T.
Deposit date:1998-06-05
Release date:1998-09-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The decameric structure of bovine pancreatic trypsin inhibitor (BPTI) crystallized from thiocyanate at 2.7 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1BDK
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BU of 1bdk by Molmil
AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS
Descriptor: bradykinin antagonist B-9340
Authors:Sejbal, J, Kotovych, G, Cann, J.R, Stewart, J.M, Gera, L.
Deposit date:1995-07-28
Release date:1995-12-07
Last modified:2024-06-05
Method:SOLUTION NMR
Cite:An NMR, CD, molecular dynamics, and fluorometric study of the conformation of the bradykinin antagonist B-9340 in water and in aqueous micellar solutions.
J.Med.Chem., 39, 1996
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
Descriptor: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
Authors:Shi, R, Picard, M.-E, Manenda, M.
Deposit date:2018-11-01
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MY5
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BU of 6my5 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M,LC-S30bR]
Descriptor: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
Authors:Shi, R.
Deposit date:2018-11-01
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MXS
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BU of 6mxs by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Shi, R, Picard, M.-E, Manenda, M.S.
Deposit date:2018-10-31
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6X3I
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BU of 6x3i by Molmil
NNAS Fc mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose
Authors:Wei, R, Zhou, Y.F.
Deposit date:2020-05-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Engineered Fc-glycosylation switch to eliminate antibody effector function.
Mabs, 12, 2020
7PU1
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BU of 7pu1 by Molmil
High resolution X-ray structure of Thermoascus aurantiacus LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Banerjee, S, Frandsen, K.E.H, Singh, R.K, Bjerrum, M.J, Lo Leggio, L.
Deposit date:2021-09-28
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
8PKC
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BU of 8pkc by Molmil
Structure of Api m1 in complex with the AM1-4 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM1-4 nanobody, Phospholipase A2
Authors:Aagaard, J.B, Gandini, R, Spillner, E, Miehe, M.
Deposit date:2023-06-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Nanobody-based IgG formats as blocking antibodies of the major honeybee venom allergen Api m 1
To be published
6NV6
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BU of 6nv6 by Molmil
Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri with glutathione bound
Descriptor: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase
Authors:Hilario, E, De Keyser, S, Fan, L.
Deposit date:2019-02-04
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and biochemical characterization of a glutathione transferase from the citrus canker pathogen Xanthomonas.
Acta Crystallogr D Struct Biol, 76, 2020
6NQY
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BU of 6nqy by Molmil
Flagellar protein FcpA from Leptospira biflexa / ab-centered monoclinic form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Flagellar coiling protein A, ...
Authors:Mechaly, A, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
Deposit date:2019-01-22
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete.
Elife, 9, 2020
4WU0
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BU of 4wu0 by Molmil
Structural Analysis of C. acetobutylicum ATCC 824 Glycoside Hydrolase From Family 105
Descriptor: Similar to yteR (Bacilus subtilis)
Authors:Germane, K.L, Servinsky, M.D, Gerlach, E.S, Sund, C.J, Hurley, M.M.
Deposit date:2014-10-30
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of Clostridium acetobutylicum ATCC 824 glycoside hydrolase from CAZy family GH105.
Acta Crystallogr.,Sect.F, 71, 2015
6NQX
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BU of 6nqx by Molmil
Flagellar protein FcpA from Leptospira biflexa / primitive monoclinic form
Descriptor: Flagellar coiling protein A, GLYCEROL
Authors:Mechaly, A, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
Deposit date:2019-01-22
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete
Elife, 9, 2020
6NMS
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BU of 6nms by Molmil
Blocking Fab 136 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 136 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 136 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NQW
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BU of 6nqw by Molmil
Flagellar protein FcpA from Leptospira biflexa - hexagonal form
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Flagellar coiling protein A, GLYCEROL, ...
Authors:San Martin, F, Trajtenberg, F, Larrieux, N, Buschiazzo, A.
Deposit date:2019-01-22
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete
Elife, 9, 2020
6NXV
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BU of 6nxv by Molmil
Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri, apo form
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Glutathione S-transferase
Authors:Hilario, E, De Keyser, S, Fan, L.
Deposit date:2019-02-10
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and biochemical characterization of a glutathione transferase from the citrus canker pathogen Xanthomonas.
Acta Crystallogr D Struct Biol, 76, 2020
1A3O
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BU of 1a3o by Molmil
ARTIFICIAL MUTANT (ALPHA Y42H) OF DEOXY HEMOGLOBIN
Descriptor: HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Tame, J, Vallone, B.
Deposit date:1998-01-22
Release date:1998-04-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of deoxy human haemoglobin and the mutant Hb Tyralpha42His at 120 K.
Acta Crystallogr.,Sect.D, 56, 2000
4WKF
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BU of 4wkf by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at 1.10 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
1A3N
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BU of 1a3n by Molmil
DEOXY HUMAN HEMOGLOBIN
Descriptor: HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Tame, J, Vallone, B.
Deposit date:1998-01-22
Release date:1998-04-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of deoxy human haemoglobin and the mutant Hb Tyralpha42His at 120 K.
Acta Crystallogr.,Sect.D, 56, 2000

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