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8K0M
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BU of 8k0m by Molmil
Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, bound to 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, ...
Authors:Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y.
Deposit date:2023-07-09
Release date:2024-09-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex.
Nat Commun, 15, 2024
8K0F
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BU of 8k0f by Molmil
Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, in its apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, FE (III) ION, ...
Authors:Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y.
Deposit date:2023-07-08
Release date:2024-09-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex.
Nat Commun, 15, 2024
8K17
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BU of 8k17 by Molmil
Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, bound to collagen alpha-1(I) chain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, FE (III) ION, ...
Authors:Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y.
Deposit date:2023-07-10
Release date:2024-09-18
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex.
Nat Commun, 15, 2024
8W5T
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BU of 8w5t by Molmil
Cryo-EM structure of Qb-Ab57
Descriptor: Heavy chain of Ab57, Light chain of Ab57, Minor capsid protein A1
Authors:Bao, K.Y, Li, R.H, Hua, Z.L, Zhu, P.
Deposit date:2023-08-27
Release date:2025-02-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Competition propels, rather than limits, the success of low-affinity B cells in the germinal center response.
Cell Rep, 44, 2025
7JYU
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BU of 7jyu by Molmil
Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Nguyen, A.T, Szeto, C, Rossjohn, J, Gras, S.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
4RVM
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BU of 4rvm by Molmil
CHK1 kinase domain with diazacarbazole compound 19
Descriptor: 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
8YMJ
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BU of 8ymj by Molmil
Cryo-EM structure of Hepatitis B virus surface antigen subviral particle with D2 symmetry
Descriptor: Isoform S of Large envelope protein
Authors:Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H.
Deposit date:2024-03-09
Release date:2024-09-18
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Inherent symmetry and flexibility in hepatitis B virus subviral particles.
Science, 385, 2024
8KC9
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BU of 8kc9 by Molmil
Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, bound to cyclosporin A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, DSN-MLE-MLE-MVA-BMT-ABA-SAR-MLE-VAL-MLE-ALA, ...
Authors:Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y.
Deposit date:2023-08-06
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex.
Nat Commun, 15, 2024
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
4P5Q
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BU of 4p5q by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
Descriptor: 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
Authors:Dong, J, Caflisch, A.
Deposit date:2014-03-19
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
4P4C
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BU of 4p4c by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
Descriptor: 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3
Authors:Dong, J, Caflisch, A.
Deposit date:2014-03-12
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
6B8R
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BU of 6b8r by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36Q at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B, Benning, M.
Deposit date:2017-10-09
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair.
J Phys Chem B, 122, 2018
5X4O
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BU of 5x4o by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 5
Descriptor: B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-02-13
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
6AMF
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BU of 6amf by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36E at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2017-08-09
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair.
J Phys Chem B, 122, 2018
1P6S
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BU of 1p6s by Molmil
Solution Structure of the Pleckstrin Homology Domain of Human Protein Kinase B beta (Pkb/Akt)
Descriptor: RAC-beta serine/threonine protein kinase
Authors:Auguin, D, Barthe, P, Auge-Senegas, M.T, Stern, M.H, Noguchi, M, Roumestand, C.
Deposit date:2003-04-30
Release date:2004-05-18
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the pleckstrin homology domain of the human protein kinase B (PKB/Akt). Interaction with inositol phosphates.
J.BIOMOL.NMR, 28, 2004
1P9F
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BU of 1p9f by Molmil
NMR Structure of Neurokinin B from DYANA
Descriptor: NEUROKININ B
Authors:Mantha, A.K, Chandrashekar, I.R, Baquer, N.Z, Cowsik, S.M.
Deposit date:2003-05-12
Release date:2004-08-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three dimensional structure of Mammalian tachykinin Peptide neurokinin B bound to lipid micelles.
J.Biomol.Struct.Dyn., 22, 2004
1CIM
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BU of 1cim by Molmil
THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS
Descriptor: (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ...
Authors:Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N.
Deposit date:1993-10-20
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors.
Protein Sci., 3, 1994
5EA6
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BU of 5ea6 by Molmil
Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein
Descriptor: (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fusion glycoprotein F0, ...
Authors:Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P.
Deposit date:2015-10-15
Release date:2015-12-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Nat.Chem.Biol., 12, 2016
5N16
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BU of 5n16 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1)
Descriptor: 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ...
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
7PH1
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BU of 7ph1 by Molmil
Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Loll, B.
Deposit date:2021-08-16
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
9BDE
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BU of 9bde by Molmil
Middle Region of Apolipoprotein B 100 bound to Low Density Lipoprotein Receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ApoB100 nanobody 4, Apolipoprotein B 100, ...
Authors:Dearborn, A.D, Reimund, M, Graziano, G, Lei, H, Kumar, A, Neufeld, E.B, Remaley, A.T, Marcotrigiano, J.
Deposit date:2024-04-11
Release date:2024-12-25
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Structure of apolipoprotein B100 bound to the low-density lipoprotein receptor.
Nature, 638, 2025
6YXM
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BU of 6yxm by Molmil
Crystal structure of ACPA 1F2 in complex with CII-C-39-CIT
Descriptor: ACPA 1F2 Fab fragment - heavy chain, ACPA 1F2 Fab fragment - light chain, CII-C-39-CIT, ...
Authors:Ge, C, Holmdahl, R.
Deposit date:2020-05-03
Release date:2021-05-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation.
Sci Adv, 8, 2022
5E9X
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BU of 5e9x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Descriptor: 2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-10-15
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
6ME9
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BU of 6me9 by Molmil
XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon
Descriptor: N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION
Authors:Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
5QU0
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BU of 5qu0 by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE
Descriptor: 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2019-11-19
Release date:2020-02-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020

238582

數據於2025-07-09公開中

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